PENTYL BENZOATE

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.02143
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
	Note 1	20,21 and 25,26 overlap, molecule too big to be fitted perfectly.
	Note 2	Oscar Li

Sample description:

Compound	Type	Concentration
PENTYL BENZOATE	solute	100mM
Methanol-d4	solvent	100.0%
TMS	reference	0.05%

Show/Hide Spin System Matrix

Spin System Matrix

	15	16	17	18	19	20	21	22	23	24	25	26	27	28	29	30
15	0.946	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0
16	0	0.946	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	0
17	0	0	0.946	0	0	0	0	0	0	0	0	0	0	0	0	0
18	0	0	0	1.43	-12.4	4.436	4.436	0	0	0	0	0	0	0	0	0
19	0	0	0	0	1.43	4.436	4.436	0	0	0	0	0	0	0	0	0
20	0	0	0	0	0	1.412	-12.4	0	0	0	5.145	5.145	0	0	0	0
21	0	0	0	0	0	0	1.412	0	0	0	5.145	5.145	0	0	0	0
22	0	0	0	0	0	0	0	7.593	7.675	7.131	0	0	1.538	1.491	0	0
23	0	0	0	0	0	0	0	0	7.472	3.055	0	0	9.46	0	0	0
24	0	0	0	0	0	0	0	0	0	7.472	0	0	0	7.527	0	0
25	0	0	0	0	0	0	0	0	0	0	1.772	-16.45	0	0	6.697	6.697
26	0	0	0	0	0	0	0	0	0	0	0	1.772	0	0	6.697	6.697
27	0	0	0	0	0	0	0	0	0	0	0	0	8.009	0	0	0
28	0	0	0	0	0	0	0	0	0	0	0	0	0	8.007	0	0
29	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.303	-12.4
30	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.303

Spectra

Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale

PPM	Amplitude	Peak Type
0.931896	0.484428	standard
0.945734	0.949067	standard
0.959572	0.484431	standard
1.36564	0.00182613	standard
1.37077	0.00169312	standard
1.37479	0.00241813	standard
1.38043	0.0026448	standard
1.38978	0.0367159	standard
1.393	0.0452557	standard
1.40123	0.181355	standard
1.40326	0.173326	standard
1.41115	0.334184	standard
1.41771	0.370064	standard
1.42345	0.446861	standard
1.43104	0.211152	standard
1.43703	0.182924	standard
1.44527	0.0940948	standard
1.45079	0.0818861	standard
1.45884	0.0239085	standard
1.46276	0.0152775	standard
1.7376	0.00707168	standard
1.74916	0.0959885	standard
1.75911	0.230602	standard
1.7623	0.226494	standard
1.77238	0.426443	standard
1.78256	0.264947	standard
1.78562	0.240179	standard
1.79576	0.105708	standard
4.28985	0.507301	standard
4.30324	1.00122	standard
4.31663	0.507257	standard
7.45071	0.0641717	standard
7.45534	0.23748	standard
7.45904	0.111173	standard
7.4703	0.437397	standard
7.47151	0.430917	standard
7.48366	0.161389	standard
7.48628	0.296891	standard
7.49149	0.0801815	standard
7.57628	0.0985195	standard
7.57927	0.170883	standard
7.58228	0.103529	standard
7.59399	0.231089	standard
7.60581	0.0668643	standard
7.60877	0.106867	standard
7.61171	0.0622612	standard
7.99807	0.412096	standard
8.00101	0.399543	standard
8.01347	0.307886	standard
8.01621	0.338566	standard
8.01977	0.219075	standard
8.02293	0.0901259	standard
0.772819	0.510613	standard
0.945749	1.0	standard
1.11894	0.552779	standard
1.34149	0.425658	standard
1.41944	0.622053	standard
1.47222	0.591653	standard
1.5114	0.63811	standard
1.59902	0.271296	standard
1.67451	0.311017	standard
1.76558	0.314973	standard
1.83578	0.147368	standard
1.87318	0.128946	standard
1.93132	0.190667	standard
2.0346	0.05913	standard
4.14637	0.532973	standard
4.3054	0.940936	standard
4.46968	0.37095	standard
7.16397	0.0270833	standard
7.20266	0.0277001	standard
7.3015	0.090308	standard
7.33462	0.078836	standard
7.40048	0.286894	standard
7.42084	0.257627	standard
7.44756	0.332067	standard
7.52891	0.74537	standard
7.57946	0.784161	standard
7.65208	0.414458	standard
7.76544	0.0967081	standard
7.90412	0.572014	standard
7.96137	0.279737	standard
7.99365	0.254019	standard
8.10292	0.263573	standard
8.17583	0.103472	standard
8.22626	0.0411061	standard
0.830454	0.496869	standard
0.945735	0.972909	standard
1.06101	0.4987	standard
1.2555	0.132647	standard
1.36928	0.396353	standard
1.4167	0.583914	standard
1.47801	0.519572	standard
1.55016	0.135193	standard
1.5943	0.237989	standard
1.65818	0.19553	standard
1.69214	0.207573	standard
1.76998	0.322905	standard
1.84319	0.161543	standard
1.88025	0.213183	standard
1.94487	0.0659642	standard
1.96676	0.052656	standard
2.09059	0.00554513	standard
4.1965	0.550806	standard
4.30508	1.0	standard
4.41409	0.448074	standard
7.27391	0.036434	standard
7.29718	0.0443166	standard
7.36542	0.0952305	standard
7.38027	0.102484	standard
7.43585	0.301202	standard
7.4621	0.233731	standard
7.48818	0.253309	standard
7.5334	0.606146	standard
7.55405	0.662212	standard
7.62315	0.278559	standard
7.71452	0.035765	standard
7.74937	0.0275261	standard
7.78101	0.0231431	standard
7.81778	0.033301	standard
7.84191	0.0376871	standard
7.93308	0.512125	standard
7.96914	0.275191	standard
7.98202	0.255881	standard
8.06749	0.317861	standard
8.11243	0.127238	standard
8.14989	0.0489871	standard
0.859273	0.478455	standard
0.945734	0.936939	standard
1.0322	0.479276	standard
1.20426	0.00990312	standard
1.29787	0.122159	standard
1.38695	0.359911	standard
1.41642	0.579872	standard
1.46183	0.466413	standard
1.51939	0.102001	standard
1.55568	0.131219	standard
1.63059	0.103275	standard
1.688	0.178838	standard
1.70953	0.212453	standard
1.77141	0.345183	standard
1.81981	0.170241	standard
1.8534	0.21598	standard
1.90022	0.06463	standard
1.92062	0.05682	standard
2.00985	0.00529012	standard
4.22209	0.534319	standard
4.3046	1.0	standard
4.38664	0.480221	standard
7.32704	0.0410149	standard
7.34455	0.06072	standard
7.37504	0.0797811	standard
7.37967	0.08036	standard
7.40141	0.105725	standard
7.45018	0.301557	standard
7.46642	0.217154	standard
7.49462	0.184692	standard
7.52697	0.437998	standard
7.54217	0.705955	standard
7.56783	0.343976	standard
7.61291	0.24107	standard
7.68425	0.042023	standard
7.70811	0.0313128	standard
7.73029	0.017154	standard
7.84464	0.01617	standard
7.86562	0.0192583	standard
7.94982	0.468455	standard
7.97863	0.284624	standard
7.9954	0.217309	standard
8.04981	0.365254	standard
8.08377	0.138297	standard
8.11224	0.055362	standard
0.86888	0.473158	standard
0.945734	0.926618	standard
1.02259	0.473712	standard
1.16945	0.00708913	standard
1.22896	0.00803413	standard
1.31186	0.118618	standard
1.38264	0.34277	standard
1.39373	0.35813	standard
1.41698	0.576979	standard
1.4568	0.454253	standard
1.50888	0.0923717	standard
1.54259	0.118561	standard
1.58815	0.027309	standard
1.64543	0.0954518	standard
1.6633	0.0629871	standard
1.69789	0.180379	standard
1.71589	0.206917	standard
1.77175	0.347632	standard
1.81388	0.167247	standard
1.84482	0.213913	standard
1.88448	0.0617743	standard
1.90497	0.058419	standard
1.98258	0.00517913	standard
4.23078	0.527133	standard
4.30434	1.00003	standard
4.37752	0.486757	standard
7.34428	0.0419346	standard
7.36024	0.0680277	standard
7.3854	0.086934	standard
7.40905	0.0970433	standard
7.45439	0.302979	standard
7.46788	0.21554	standard
7.48184	0.169899	standard
7.4875	0.170243	standard
7.51926	0.439656	standard
7.52147	0.439665	standard
7.54068	0.60972	standard
7.5654	0.326457	standard
7.60964	0.233156	standard
7.672	0.0444532	standard
7.69407	0.035073	standard
7.7134	0.019001	standard
7.85216	0.01031	standard
7.87321	0.014734	standard
7.95623	0.456849	standard
7.9804	0.295128	standard
7.99556	0.215443	standard
8.04714	0.377428	standard
8.07466	0.140775	standard
8.09973	0.0581492	standard
0.876565	0.472013	standard
0.945734	0.924422	standard
1.0149	0.472407	standard
1.19821	0.00531713	standard
1.2481	0.00705613	standard
1.32081	0.115091	standard
1.32413	0.115276	standard
1.38582	0.336638	standard
1.41748	0.572153	standard
1.45275	0.448038	standard
1.50049	0.085465	standard
1.53159	0.111363	standard
1.57195	0.0233364	standard
1.59367	0.0170721	standard
1.60964	0.0165631	standard
1.65782	0.0922244	standard
1.67318	0.062929	standard
1.70571	0.18693	standard
1.72144	0.205313	standard
1.77203	0.353965	standard
1.80951	0.165214	standard
1.83791	0.212422	standard
1.87205	0.060994	standard
1.89194	0.0599872	standard
1.96086	0.00512913	standard
4.23777	0.519663	standard
4.30413	1.00004	standard
4.3702	0.494871	standard
7.35803	0.043668	standard
7.37266	0.0752351	standard
7.3937	0.0940509	standard
7.41309	0.0910931	standard
7.42171	0.087272	standard
7.45726	0.307743	standard
7.48309	0.185641	standard
7.5239	0.474853	standard
7.5275	0.473415	standard
7.53438	0.461227	standard
7.54489	0.403089	standard
7.56399	0.287825	standard
7.6071	0.226578	standard
7.66286	0.0429873	standard
7.68293	0.0398149	standard
7.70002	0.021336	standard
7.85897	0.00776313	standard
7.87712	0.0100263	standard
7.96106	0.446783	standard
7.98183	0.300903	standard
7.99572	0.215431	standard
8.0445	0.381708	standard
8.06755	0.145308	standard
8.08982	0.061605	standard
0.91115	0.479902	standard
0.945734	0.940099	standard
0.980318	0.479949	standard
1.29343	0.00238112	standard
1.30801	0.00262512	standard
1.31892	0.00225625	standard
1.33165	0.00389004	standard
1.35338	0.029551	standard
1.36807	0.103718	standard
1.38368	0.175338	standard
1.40251	0.288435	standard
1.41332	0.533492	standard
1.41821	0.522081	standard
1.43393	0.502577	standard
1.44753	0.251697	standard
1.47287	0.0753372	standard
1.48238	0.0977993	standard
1.50058	0.019667	standard
1.51315	0.0110463	standard
1.687	0.00858312	standard
1.7142	0.0901029	standard
1.7391	0.21272	standard
1.74716	0.215673	standard
1.77226	0.390854	standard
1.79919	0.209359	standard
1.80542	0.227233	standard
1.8318	0.0749283	standard
1.86524	0.00552325	standard
4.27004	0.507146	standard
4.30342	1.00009	standard
4.33681	0.507054	standard
7.41731	0.0541078	standard
7.42711	0.126279	standard
7.43156	0.145408	standard
7.44054	0.0926817	standard
7.46669	0.403974	standard
7.47366	0.279205	standard
7.5045	0.343947	standard
7.51888	0.0942922	standard
7.5542	0.12127	standard
7.56253	0.225103	standard
7.57069	0.144865	standard
7.58653	0.0876416	standard
7.59816	0.210486	standard
7.61307	0.062042	standard
7.62689	0.05041	standard
7.63488	0.0739568	standard
7.64265	0.0411218	standard
7.98439	0.378747	standard
7.99153	0.356957	standard
7.9984	0.220545	standard
8.02366	0.334853	standard
8.02926	0.379472	standard
8.03681	0.180834	standard
8.04621	0.0798625	standard
0.922678	0.481753	standard
0.945734	0.943789	standard
0.96879	0.481767	standard
1.3338	0.00205213	standard
1.34302	0.00215912	standard
1.34853	0.002005	standard
1.35116	0.00201025	standard
1.35723	0.00295612	standard
1.37382	0.031081	standard
1.39454	0.237258	standard
1.41132	0.404146	standard
1.41854	0.585009	standard
1.42926	0.498578	standard
1.44117	0.275786	standard
1.45551	0.0820782	standard
1.46433	0.107672	standard
1.47787	0.01992	standard
1.7175	0.008921	standard
1.73354	0.0885256	standard
1.7395	0.0703592	standard
1.7503	0.214515	standard
1.75563	0.21355	standard
1.76231	0.173249	standard
1.77239	0.389919	standard
1.78984	0.235523	standard
1.79452	0.219278	standard
1.81176	0.0822416	standard
1.83568	0.00474625	standard
4.28099	0.506568	standard
4.3033	1.0	standard
4.3256	0.506602	standard
7.43611	0.0591023	standard
7.44433	0.185208	standard
7.45068	0.100228	standard
7.46935	0.428048	standard
7.49484	0.316963	standard
7.50409	0.0855634	standard
7.56604	0.110645	standard
7.57119	0.195834	standard
7.57626	0.120194	standard
7.58916	0.0991649	standard
7.59543	0.219101	standard
7.60347	0.0783879	standard
7.61499	0.0583447	standard
7.62002	0.090595	standard
7.625	0.0518373	standard
7.99162	0.386344	standard
7.99661	0.392059	standard
8.01782	0.320166	standard
8.02201	0.376283	standard
0.928442	0.51052	standard
0.945734	1.0	standard
0.963026	0.510525	standard
1.35384	0.00206712	standard
1.36042	0.00205904	standard
1.36499	0.002481	standard
1.37205	0.00297903	standard
1.3838	0.0337017	standard
1.3887	0.047862	standard
1.39848	0.190681	standard
1.4013	0.186119	standard
1.41143	0.342747	standard
1.41445	0.27709	standard
1.41863	0.398612	standard
1.42201	0.405421	standard
1.4269	0.380887	standard
1.43126	0.228415	standard
1.43842	0.196274	standard
1.44891	0.0906721	standard
1.45574	0.086157	standard
1.46605	0.0241863	standard
1.47116	0.0128756	standard
1.72988	0.00813916	standard
1.74329	0.0918821	standard
1.75579	0.217924	standard
1.75977	0.21844	standard
1.7724	0.402161	standard
1.7851	0.250905	standard
1.789	0.225802	standard
1.80164	0.0926895	standard
4.28651	0.503216	standard
4.30324	0.99458	standard
4.32	0.503781	standard
7.4453	0.0653984	standard
7.45113	0.229187	standard
7.45595	0.112534	standard
7.47004	0.456615	standard
7.4865	0.177266	standard
7.48962	0.323921	standard
7.49622	0.0872633	standard
7.57245	0.110051	standard
7.57615	0.19087	standard
7.57986	0.116432	standard
7.59441	0.23904	standard
7.59973	0.0950262	standard
7.6092	0.0671563	standard
7.61293	0.106463	standard
7.61663	0.0616005	standard
7.99558	0.429658	standard
7.99935	0.425351	standard
8.01505	0.329934	standard
8.01843	0.38525	standard
8.0224	0.221902	standard
0.9319	0.484421	standard
0.945734	0.949055	standard
0.959568	0.484424	standard
1.36564	0.00182513	standard
1.37078	0.00169322	standard
1.37476	0.00241725	standard
1.38044	0.00264356	standard
1.38978	0.036717	standard
1.393	0.0452354	standard
1.40123	0.18124	standard
1.40326	0.173271	standard
1.41115	0.33424	standard
1.41771	0.369983	standard
1.42345	0.446783	standard
1.43104	0.211091	standard
1.43703	0.18295	standard
1.44526	0.0940702	standard
1.45079	0.0819004	standard
1.45883	0.0239071	standard
1.46276	0.0152761	standard
1.73759	0.007062	standard
1.74919	0.0962368	standard
1.75911	0.230877	standard
1.7623	0.22588	standard
1.77238	0.426412	standard
1.78256	0.264221	standard
1.78562	0.240072	standard
1.79573	0.105253	standard
4.28985	0.507292	standard
4.30324	1.00122	standard
4.31663	0.507248	standard
7.4507	0.063648	standard
7.45534	0.237949	standard
7.45904	0.111191	standard
7.4703	0.437308	standard
7.47151	0.430823	standard
7.48366	0.161335	standard
7.48628	0.296825	standard
7.49149	0.0801537	standard
7.57628	0.098497	standard
7.57927	0.170857	standard
7.58228	0.103503	standard
7.59399	0.231051	standard
7.60581	0.0668552	standard
7.60877	0.106864	standard
7.61171	0.0622555	standard
7.99807	0.412028	standard
8.00101	0.399471	standard
8.01347	0.307869	standard
8.01621	0.338813	standard
8.01978	0.217329	standard
8.02294	0.0899728	standard
0.934206	0.487161	standard
0.945734	0.954429	standard
0.957262	0.487163	standard
1.37348	0.00177713	standard
1.37769	0.001572	standard
1.38131	0.0024905	standard
1.38587	0.00244553	standard
1.39365	0.0396999	standard
1.39597	0.0429548	standard
1.40278	0.175627	standard
1.41141	0.32969	standard
1.41774	0.316962	standard
1.41993	0.309484	standard
1.42435	0.431136	standard
1.43051	0.198166	standard
1.43589	0.18502	standard
1.44281	0.0974634	standard
1.44739	0.0815221	standard
1.45436	0.024256	standard
1.45695	0.0170411	standard
1.73719	0.00352638	standard
1.74259	0.00617103	standard
1.75318	0.104643	standard
1.76132	0.241534	standard
1.76413	0.23484	standard
1.77238	0.448269	standard
1.78089	0.277358	standard
1.78341	0.252303	standard
1.79185	0.114312	standard
4.29209	0.508282	standard
4.30324	1.00153	standard
4.3144	0.508246	standard
7.45425	0.0656532	standard
7.45809	0.249263	standard
7.46113	0.11542	standard
7.47052	0.451421	standard
7.47168	0.433834	standard
7.48166	0.154418	standard
7.48405	0.293578	standard
7.48831	0.0783188	standard
7.57904	0.0969964	standard
7.58145	0.16662	standard
7.58387	0.10134	standard
7.59174	0.147667	standard
7.59369	0.235739	standard
7.60362	0.0698851	standard
7.60604	0.112596	standard
7.60845	0.0657012	standard
7.99985	0.41304	standard
8.00219	0.386096	standard
8.01241	0.30301	standard
8.01476	0.31207	standard
8.01801	0.225899	standard
8.02056	0.0910329	standard
0.935853	0.489715	standard
0.945734	0.959443	standard
0.955615	0.489716	standard
1.37913	0.00176413	standard
1.38266	0.00146702	standard
1.38591	0.00257404	standard
1.38969	0.00239501	standard
1.39647	0.0446796	standard
1.39801	0.0463351	standard
1.40393	0.186968	standard
1.4113	0.336106	standard
1.41678	0.263724	standard
1.41894	0.265629	standard
1.42083	0.234766	standard
1.42533	0.337624	standard
1.43075	0.195401	standard
1.4351	0.18016	standard
1.44091	0.102062	standard
1.4435	0.0685687	standard
1.44494	0.0800437	standard
1.45089	0.0264602	standard
1.45297	0.018818	standard
1.7403	0.00284204	standard
1.75589	0.108593	standard
1.76289	0.25384	standard
1.76534	0.246591	standard
1.77242	0.466444	standard
1.77969	0.282299	standard
1.78185	0.260673	standard
1.78912	0.121301	standard
4.29367	0.506761	standard
4.30319	1.0	standard
4.31279	0.505644	standard
7.45681	0.0674424	standard
7.46006	0.259562	standard
7.46264	0.119609	standard
7.47075	0.453615	standard
7.47186	0.450147	standard
7.48041	0.15632	standard
7.48239	0.291209	standard
7.48596	0.0777857	standard
7.5809	0.0939001	standard
7.58304	0.162582	standard
7.58507	0.0995123	standard
7.59173	0.150616	standard
7.59354	0.229739	standard
7.60201	0.0712832	standard
7.60416	0.116161	standard
7.60618	0.0684459	standard
8.00121	0.419749	standard
8.00334	0.366623	standard
8.00575	0.129502	standard
8.01174	0.292605	standard
8.0134	0.285749	standard
8.01428	0.287206	standard
8.01671	0.229579	standard
8.01879	0.0939096	standard
0.936512	0.492992	standard
0.945734	0.965855	standard
0.954957	0.492993	standard
1.38136	0.001771	standard
1.38466	0.00145022	standard
1.38776	0.00262762	standard
1.3912	0.00236856	standard
1.39758	0.0466816	standard
1.39889	0.0483158	standard
1.40445	0.196077	standard
1.41138	0.343966	standard
1.41656	0.289567	standard
1.41813	0.239035	standard
1.42153	0.256789	standard
1.4257	0.331505	standard
1.43045	0.193865	standard
1.43482	0.180761	standard
1.44022	0.100103	standard
1.44231	0.0706857	standard
1.44398	0.0792197	standard
1.4496	0.02657	standard
1.45131	0.0201811	standard
1.74136	0.00257438	standard
1.75701	0.113013	standard
1.76357	0.259826	standard
1.76581	0.252513	standard
1.77242	0.480287	standard
1.7792	0.28706	standard
1.78126	0.266951	standard
1.78803	0.123656	standard
4.29427	0.506644	standard
4.30319	1.0	standard
4.31212	0.506638	standard
7.45778	0.0680188	standard
7.46085	0.264596	standard
7.46324	0.121046	standard
7.47086	0.457514	standard
7.47185	0.452247	standard
7.47974	0.150594	standard
7.48167	0.289868	standard
7.48497	0.0781822	standard
7.58169	0.093593	standard
7.58368	0.162523	standard
7.58557	0.0992524	standard
7.59168	0.151451	standard
7.59351	0.238423	standard
7.60142	0.0730416	standard
7.60337	0.118279	standard
7.6053	0.069163	standard
8.00171	0.418034	standard
8.00372	0.367305	standard
8.00605	0.127001	standard
8.01157	0.288319	standard
8.01267	0.287105	standard
8.01397	0.280081	standard
8.01614	0.23714	standard
8.01816	0.0935918	standard
0.937088	0.496132	standard
0.945734	0.972016	standard
0.95438	0.496133	standard
1.38329	0.00177312	standard
1.38934	0.00267563	standard
1.39253	0.00230706	standard
1.39846	0.0480785	standard
1.39969	0.0499746	standard
1.40487	0.20728	standard
1.41141	0.333347	standard
1.41669	0.273228	standard
1.42152	0.269085	standard
1.42592	0.332848	standard
1.43012	0.192144	standard
1.43454	0.186542	standard
1.43958	0.100261	standard
1.44157	0.0727104	standard
1.44313	0.0798071	standard
1.44838	0.0270757	standard
1.44999	0.0209641	standard
1.75798	0.115552	standard
1.76412	0.264344	standard
1.76623	0.258566	standard
1.77243	0.48859	standard
1.77879	0.28783	standard
1.78068	0.273093	standard
1.78709	0.125449	standard
4.29486	0.506731	standard
4.30319	1.0	standard
4.31157	0.504969	standard
7.45866	0.0684368	standard
7.46153	0.265212	standard
7.46385	0.121587	standard
7.47084	0.464515	standard
7.47187	0.45826	standard
7.47922	0.150208	standard
7.48109	0.293006	standard
7.4842	0.0774908	standard
7.58238	0.093613	standard
7.58423	0.160853	standard
7.58608	0.0975087	standard
7.59179	0.152143	standard
7.59344	0.232436	standard
7.60092	0.0744695	standard
7.60272	0.120917	standard
7.60451	0.0706785	standard
8.00217	0.421644	standard
8.00399	0.373426	standard
8.00629	0.127048	standard
8.0112	0.284483	standard
8.01239	0.284142	standard
8.01371	0.274346	standard
8.01564	0.240903	standard
8.01759	0.0933354	standard
0.938049	0.502947	standard
0.945734	0.985415	standard
0.953419	0.502948	standard
1.38657	0.00179912	standard
1.39198	0.00277702	standard
1.39473	0.00238268	standard
1.40009	0.0526703	standard
1.40096	0.0543995	standard
1.40567	0.219204	standard
1.41131	0.333389	standard
1.41602	0.260238	standard
1.41854	0.148734	standard
1.42173	0.223871	standard
1.42636	0.314192	standard
1.4299	0.185149	standard
1.43407	0.194157	standard
1.43868	0.0993184	standard
1.44003	0.0801975	standard
1.44173	0.0812775	standard
1.44649	0.0284123	standard
1.4476	0.0240845	standard
1.75954	0.119749	standard
1.76506	0.273366	standard
1.76691	0.26883	standard
1.77243	0.504518	standard
1.7781	0.29134	standard
1.7798	0.278588	standard
1.78549	0.126964	standard
4.29575	0.506655	standard
4.30319	1.0	standard
4.31063	0.506651	standard
7.46014	0.0715708	standard
7.46268	0.275472	standard
7.46464	0.126156	standard
7.471	0.475349	standard
7.47186	0.465971	standard
7.47841	0.151036	standard
7.48011	0.292363	standard
7.48285	0.0761028	standard
7.58356	0.0932437	standard
7.58522	0.160983	standard
7.58677	0.0990586	standard
7.59188	0.155792	standard
7.59342	0.244906	standard
7.60002	0.0763255	standard
7.60163	0.124418	standard
7.60323	0.0726513	standard
8.00288	0.426116	standard
8.00449	0.357084	standard
8.00651	0.125718	standard
8.01059	0.274813	standard
8.01168	0.283906	standard
8.01321	0.266384	standard
8.01494	0.235896	standard
8.01659	0.0971395	standard
0.938453	0.506562	standard
0.945734	0.992496	standard
0.953015	0.506562	standard
1.38796	0.00182113	standard
1.39313	0.00283545	standard
1.39567	0.00234289	standard
1.40079	0.054773	standard
1.40156	0.056434	standard
1.406	0.229449	standard
1.4113	0.345821	standard
1.41577	0.28576	standard
1.42011	0.17278	standard
1.42092	0.171561	standard
1.42252	0.187579	standard
1.42655	0.310134	standard
1.42986	0.187508	standard
1.43387	0.196944	standard
1.43828	0.0994567	standard
1.4395	0.0829745	standard
1.44112	0.0820587	standard
1.44567	0.029351	standard
1.44662	0.0251733	standard
1.7602	0.121323	standard
1.76544	0.275519	standard
1.76717	0.274213	standard
1.77244	0.510001	standard
1.77781	0.293939	standard
1.77942	0.281651	standard
1.78481	0.127427	standard
4.29615	0.506667	standard
4.30319	1.0	standard
4.31023	0.506664	standard
7.46072	0.0720721	standard
7.46317	0.275519	standard
7.46504	0.12801	standard
7.47098	0.474912	standard
7.47186	0.468452	standard
7.47813	0.153379	standard
7.47971	0.300995	standard
7.48226	0.0766798	standard
7.58405	0.0935243	standard
7.58562	0.161204	standard
7.58707	0.0994616	standard
7.59189	0.160689	standard
7.59334	0.240398	standard
7.59961	0.0767958	standard
7.60119	0.125695	standard
7.60263	0.0749317	standard
8.00327	0.426921	standard
8.00467	0.35626	standard
8.00662	0.126095	standard
8.01035	0.280503	standard
8.01137	0.288531	standard
8.01305	0.262551	standard
8.01457	0.241018	standard
8.01621	0.0975546	standard
0.938817	0.509848	standard
0.945734	0.998903	standard
0.952651	0.509848	standard
1.38921	0.00184104	standard
1.39411	0.002888	standard
1.39652	0.00235333	standard
1.4014	0.0577499	standard
1.40205	0.0591999	standard
1.4063	0.239355	standard
1.41131	0.354487	standard
1.41577	0.299335	standard
1.42001	0.187242	standard
1.42306	0.184043	standard
1.42674	0.30716	standard
1.42994	0.190601	standard
1.4322	0.11352	standard
1.43369	0.20092	standard
1.43785	0.1028	standard
1.43891	0.0870223	standard
1.44059	0.083205	standard
1.44488	0.0302729	standard
1.44572	0.0266353	standard
1.76081	0.124523	standard
1.76576	0.278161	standard
1.76746	0.279737	standard
1.77245	0.513868	standard
1.77756	0.295455	standard
1.77904	0.286252	standard
1.7842	0.129514	standard
4.29655	0.506834	standard
4.30319	1.0	standard
4.30993	0.506518	standard
7.46132	0.0734159	standard
7.46361	0.280541	standard
7.46533	0.130846	standard
7.47111	0.48461	standard
7.47185	0.48371	standard
7.4778	0.152314	standard
7.4793	0.306036	standard
7.48163	0.0789788	standard
7.58456	0.0952643	standard
7.58596	0.162543	standard
7.58738	0.0988477	standard
7.59192	0.165403	standard
7.5933	0.240074	standard
7.59932	0.0789102	standard
7.60074	0.12835	standard
7.60215	0.0753425	standard
8.00349	0.437416	standard
8.00483	0.341004	standard
8.00687	0.126788	standard
8.01003	0.27406	standard
8.01122	0.285305	standard
8.01287	0.260234	standard
8.01428	0.239722	standard
8.01585	0.0959171	standard
0.939446	0.510372	standard
0.945734	1.0	standard
0.952022	0.510373	standard
1.39133	0.00185138	standard
1.39579	0.002969	standard
1.40279	0.0639927	standard
1.40678	0.249154	standard
1.41135	0.368695	standard
1.41531	0.274193	standard
1.41993	0.135694	standard
1.42353	0.177476	standard
1.42706	0.296633	standard
1.4298	0.188353	standard
1.43186	0.118202	standard
1.43338	0.20811	standard
1.43725	0.104415	standard
1.43966	0.0850122	standard
1.44362	0.0318834	standard
1.76183	0.124316	standard
1.7664	0.279644	standard
1.76788	0.283419	standard
1.77245	0.517567	standard
1.77711	0.293779	standard
1.77846	0.286447	standard
1.78312	0.128295	standard
4.29714	0.500492	standard
4.30319	0.987545	standard
4.30929	0.49723	standard
7.46218	0.0715649	standard
7.46437	0.286966	standard
7.46595	0.128527	standard
7.47109	0.482944	standard
7.47187	0.468661	standard
7.47718	0.149274	standard
7.47861	0.294798	standard
7.48078	0.078246	standard
7.58523	0.0920161	standard
7.58661	0.159024	standard
7.58788	0.0981838	standard
7.59201	0.16435	standard
7.5933	0.24004	standard
7.59437	0.150969	standard
7.59871	0.0789659	standard
7.60004	0.1292	standard
7.60137	0.0753141	standard
8.00395	0.436875	standard
8.00521	0.30727	standard
8.00696	0.12932	standard
8.00963	0.264747	standard
8.01087	0.277144	standard
8.0125	0.258906	standard
8.01382	0.234407	standard
8.01512	0.0976552	standard
0.940413	0.51036	standard
0.945734	1.0	standard
0.951055	0.51036	standard
1.39453	0.00186012	standard
1.39843	0.00311909	standard
1.40406	0.0705633	standard
1.40761	0.271551	standard
1.4114	0.396639	standard
1.41478	0.288492	standard
1.41874	0.142361	standard
1.42236	0.100052	standard
1.42447	0.168701	standard
1.42755	0.290923	standard
1.42976	0.188417	standard
1.43143	0.130007	standard
1.43291	0.222221	standard
1.43627	0.11069	standard
1.43822	0.0890739	standard
1.44162	0.0348741	standard
1.76343	0.123766	standard
1.76733	0.281161	standard
1.76854	0.284075	standard
1.77245	0.516446	standard
1.7764	0.290397	standard
1.77757	0.283082	standard
1.78152	0.127301	standard
4.29804	0.489405	standard
4.30319	0.965904	standard
4.30835	0.48942	standard
7.46366	0.0720507	standard
7.46549	0.288111	standard
7.46686	0.129507	standard
7.47118	0.47806	standard
7.47185	0.472268	standard
7.47638	0.148301	standard
7.47762	0.292262	standard
7.4794	0.0786706	standard
7.58641	0.0911478	standard
7.58755	0.157155	standard
7.58869	0.0949454	standard
7.59213	0.1659	standard
7.59326	0.245295	standard
7.59781	0.0798117	standard
7.59895	0.131012	standard
7.60009	0.0760795	standard
8.00467	0.405898	standard
8.00587	0.269798	standard
8.00735	0.132295	standard
8.00923	0.263118	standard
8.01017	0.253261	standard
8.01193	0.260517	standard
8.01308	0.230189	standard
8.01413	0.0961456	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

PENTYL BENZOATE

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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