Bis-2-butoxyethyl-phthalate

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.02058
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
	Note 1	Used COSY for H-H connectivities
	Note 2	synmmetric-4 submatrices

Sample description:

Compound	Type	Concentration
bis(2-butoxyethyl)phthalate	Solute	Saturated1
acetone	Solvent	100%
TMS	Reference	0.5%

Show/Hide Spin System Matrix

Spin System Matrix

	30	31	32	35	36	39	40	47	48	51	52	55	56	43	41	42	44	53	54	49	50	45	46	37	38	33	34	27	28	29
30	0.892	-12.5	-12.5	7.332	7.332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
31	0	0.892	-12.5	7.332	7.332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
32	0	0	0.892	7.332	7.332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
35	0	0	0	1.363	-12.4	8.495	8.495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
36	0	0	0	0	1.363	8.495	8.495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
39	0	0	0	0	0	1.53	-12.4	6.478	6.478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
40	0	0	0	0	0	0	1.53	6.478	6.478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
47	0	0	0	0	0	0	0	3.474	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
48	0	0	0	0	0	0	0	0	3.474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
51	0	0	0	0	0	0	0	0	0	3.715	-12.4	4.357	6.351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
52	0	0	0	0	0	0	0	0	0	0	3.715	6.181	2.663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
55	0	0	0	0	0	0	0	0	0	0	0	4.409	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
56	0	0	0	0	0	0	0	0	0	0	0	0	4.409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
43	0	0	0	0	0	0	0	0	0	0	0	0	0	7.672	8.309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
41	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.766	7.0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
42	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.766	8.309	0	0	0	0	0	0	0	0	0	0	0	0	0
44	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7.672	0	0	0	0	0	0	0	0	0	0	0	0	0
53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.409	-12.4	4.357	6.351	0	0	0	0	0	0	0	0	0
54	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.409	6.181	2.663	0	0	0	0	0	0	0	0	0
49	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.715	-12.4	0	0	0	0	0	0	0	0	0
50	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.715	0	0	0	0	0	0	0	0	0
45	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.474	-12.4	6.478	6.478	0	0	0	0	0
46	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.474	6.478	6.478	0	0	0	0	0
37	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.53	-12.4	8.495	8.495	0	0	0
38	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.53	8.495	8.495	0	0	0
33	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.363	-12.4	7.332	7.332	7.332
34	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.363	7.332	7.332	7.332
27	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.892	-12.5	-12.5
28	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.892	-12.5
29	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.892

Spectra

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

PPM	Amplitude	Peak Type
0.876845	0.475572	standard
0.891433	1.00101	standard
0.905993	0.52319	standard
1.32402	0.0391909	standard
1.33981	0.130178	standard
1.355	0.248965	standard
1.371	0.27385	standard
1.38637	0.161611	standard
1.40152	0.0471224	standard
1.50053	0.0857644	standard
1.51435	0.191182	standard
1.51676	0.168489	standard
1.53004	0.2791	standard
1.54404	0.152657	standard
1.54657	0.136628	standard
1.55991	0.0569445	standard
1.56082	0.0557053	standard
3.46094	0.354282	standard
3.47385	0.69764	standard
3.48674	0.353832	standard
3.70491	0.431994	standard
3.71213	0.307528	standard
3.71456	0.48838	standard
3.71731	0.296183	standard
3.72441	0.435979	standard
4.39921	0.436579	standard
4.40628	0.296315	standard
4.40903	0.492014	standard
4.41147	0.306791	standard
4.41874	0.431784	standard
7.65388	0.0310097	standard
7.6632	0.185657	standard
7.66763	0.173302	standard
7.67545	0.203678	standard
7.67993	0.260294	standard
7.6892	0.0609293	standard
7.74938	0.0611822	standard
7.75871	0.260534	standard
7.76314	0.204985	standard
7.77096	0.1725	standard
7.77539	0.184757	standard
7.78471	0.0308736	standard
0.533069	0.0161951	standard
0.608947	0.0359961	standard
0.703571	0.0858303	standard
0.8913	0.75376	standard
1.02999	0.369058	standard
1.15606	0.16054	standard
1.1972	0.207322	standard
1.31047	0.378267	standard
1.36981	0.332661	standard
1.39073	0.32893	standard
1.42456	0.301699	standard
1.51959	0.426619	standard
1.61504	0.168897	standard
1.68287	0.182436	standard
1.84352	0.0248391	standard
1.86871	0.0232671	standard
1.95252	0.0137691	standard
2.01997	0.00857213	standard
2.98138	0.00451412	standard
3.16299	0.0144511	standard
3.32213	0.216957	standard
3.47465	0.491983	standard
3.57236	0.322429	standard
3.59239	0.323099	standard
3.68301	0.489121	standard
3.74673	0.308663	standard
3.81638	0.360928	standard
3.84751	0.295882	standard
4.27611	0.291984	standard
4.30724	0.355692	standard
4.37683	0.294862	standard
4.44011	0.452342	standard
4.53075	0.213485	standard
4.54975	0.199965	standard
7.45092	0.0104801	standard
7.50225	0.017687	standard
7.71934	1.0	standard
7.93644	0.0176661	standard
7.98791	0.0104571	standard
0.575025	0.00776612	standard
0.723011	0.0683403	standard
0.766013	0.188219	standard
0.891334	0.992178	standard
0.990786	0.463781	standard
1.05464	0.110437	standard
1.11086	0.081997	standard
1.13458	0.087055	standard
1.20039	0.20661	standard
1.22497	0.149392	standard
1.30977	0.304904	standard
1.37469	0.323759	standard
1.42304	0.606047	standard
1.48143	0.451584	standard
1.5253	0.552707	standard
1.59974	0.147877	standard
1.63572	0.224721	standard
1.73506	0.042468	standard
1.75881	0.0370141	standard
1.81798	0.018299	standard
1.8455	0.0143091	standard
3.13691	0.00524913	standard
3.37001	0.334674	standard
3.47466	0.730863	standard
3.58402	0.289645	standard
3.62936	0.435183	standard
3.70366	0.683855	standard
3.73636	0.429938	standard
3.78972	0.734754	standard
4.00479	0.0138972	standard
4.11875	0.0135021	standard
4.33391	0.730669	standard
4.3872	0.42349	standard
4.41996	0.674344	standard
4.49349	0.402633	standard
7.53872	0.0334961	standard
7.56504	0.047269	standard
7.62215	0.0716051	standard
7.70799	1.0	standard
7.73057	0.999151	standard
7.81638	0.071638	standard
7.87349	0.047265	standard
7.8998	0.033488	standard
0.673914	0.00881512	standard
0.796941	0.216224	standard
0.813877	0.203392	standard
0.859749	0.38371	standard
0.891552	1.00001	standard
0.969898	0.516659	standard
1.13096	0.0551312	standard
1.14804	0.0615884	standard
1.19456	0.0663082	standard
1.23153	0.163871	standard
1.25295	0.111213	standard
1.27389	0.0739101	standard
1.32264	0.280283	standard
1.40837	0.392183	standard
1.4202	0.407105	standard
1.43176	0.433612	standard
1.44816	0.510259	standard
1.46221	0.468578	standard
1.47841	0.47004	standard
1.5276	0.571413	standard
1.61044	0.226838	standard
1.66518	0.0461252	standard
1.7021	0.0533081	standard
1.73134	0.0200801	standard
1.7453	0.0228711	standard
1.75772	0.0185241	standard
3.3085	0.0162331	standard
3.39586	0.364574	standard
3.47431	0.752072	standard
3.55552	0.30052	standard
3.65112	0.487786	standard
3.70885	0.721309	standard
3.73104	0.43639	standard
3.77241	0.727966	standard
4.35121	0.724757	standard
4.39258	0.432902	standard
4.41475	0.715973	standard
4.47246	0.479573	standard
7.54847	0.012943	standard
7.58	0.045788	standard
7.59794	0.0770727	standard
7.63446	0.0813431	standard
7.66633	0.134711	standard
7.68479	0.283041	standard
7.70454	0.861056	standard
7.73407	0.861554	standard
7.75386	0.282929	standard
7.77215	0.135116	standard
7.80418	0.0813261	standard
7.8406	0.0770929	standard
7.85853	0.045796	standard
7.89007	0.012943	standard
0.691668	0.00822912	standard
0.807175	0.237293	standard
0.820871	0.222206	standard
0.867045	0.39972	standard
0.891434	1.00003	standard
0.962834	0.543913	standard
1.03267	0.0355561	standard
1.12283	0.0216181	standard
1.15148	0.0504642	standard
1.16392	0.0556162	standard
1.21661	0.066368	standard
1.24074	0.145053	standard
1.26215	0.115179	standard
1.32701	0.269772	standard
1.33916	0.209025	standard
1.40478	0.41441	standard
1.41032	0.42356	standard
1.43312	0.352825	standard
1.45737	0.552334	standard
1.47101	0.488072	standard
1.52935	0.517171	standard
1.60136	0.219924	standard
1.64663	0.0486706	standard
1.68532	0.0482224	standard
1.71988	0.024512	standard
3.32472	0.015511	standard
3.40447	0.376251	standard
3.47431	0.768133	standard
3.51663	0.172246	standard
3.54623	0.30872	standard
3.65839	0.503354	standard
3.71012	0.720173	standard
3.72924	0.430091	standard
3.76638	0.714774	standard
4.35723	0.714225	standard
4.39438	0.427848	standard
4.4135	0.715979	standard
4.46522	0.498811	standard
7.5628	0.0137724	standard
7.59384	0.0532779	standard
7.60855	0.0836726	standard
7.6388	0.0854134	standard
7.67025	0.151891	standard
7.68316	0.259404	standard
7.70324	0.74562	standard
7.7353	0.745514	standard
7.7555	0.258738	standard
7.76819	0.152326	standard
7.79984	0.0853677	standard
7.83009	0.0834296	standard
7.84468	0.0533739	standard
7.87573	0.0137861	standard
0.708629	0.00776113	standard
0.815675	0.250409	standard
0.826174	0.247642	standard
0.842167	0.182357	standard
0.891487	1.0	standard
0.957091	0.559453	standard
1.04051	0.0214351	standard
1.08752	0.0109831	standard
1.10508	0.0119531	standard
1.12343	0.0119431	standard
1.16945	0.0409211	standard
1.18061	0.055222	standard
1.25077	0.14169	standard
1.27177	0.112675	standard
1.32967	0.261713	standard
1.34201	0.217751	standard
1.40018	0.381102	standard
1.40589	0.384233	standard
1.46423	0.555754	standard
1.50512	0.246281	standard
1.52912	0.510857	standard
1.59425	0.204492	standard
1.63309	0.051583	standard
1.64232	0.046278	standard
1.67037	0.0473421	standard
1.70043	0.025274	standard
3.24879	0.00344812	standard
3.34193	0.0130101	standard
3.41159	0.385269	standard
3.4742	0.76299	standard
3.53876	0.319097	standard
3.66418	0.516339	standard
3.71102	0.712953	standard
3.72781	0.425512	standard
3.7615	0.701943	standard
4.36214	0.700526	standard
4.39583	0.423639	standard
4.41262	0.711059	standard
4.45943	0.510151	standard
7.57436	0.014624	standard
7.60462	0.0619981	standard
7.61581	0.086875	standard
7.64238	0.0893389	standard
7.68215	0.245776	standard
7.7007	0.624557	standard
7.73782	0.625607	standard
7.75637	0.245586	standard
7.79626	0.089302	standard
7.82283	0.0869541	standard
7.83388	0.0622197	standard
7.86429	0.014608	standard
0.854813	0.386375	standard
0.891239	1.0001	standard
0.925847	0.569328	standard
1.26709	0.0396561	standard
1.30404	0.129812	standard
1.30849	0.111245	standard
1.34515	0.259639	standard
1.36455	0.0788541	standard
1.36767	0.080149	standard
1.38317	0.310816	standard
1.41886	0.216467	standard
1.46205	0.121863	standard
1.49701	0.317348	standard
1.52959	0.349521	standard
1.56219	0.157718	standard
1.5689	0.148443	standard
1.58057	0.0779723	standard
1.60311	0.047477	standard
1.61222	0.037413	standard
3.44242	0.410121	standard
3.47407	0.777008	standard
3.50565	0.375012	standard
3.68984	0.493372	standard
3.70835	0.393325	standard
3.7138	0.605593	standard
3.72126	0.359456	standard
3.73866	0.568528	standard
4.38496	0.567281	standard
4.40236	0.358903	standard
4.40982	0.606271	standard
4.41527	0.392699	standard
4.4338	0.492883	standard
7.62602	0.0239742	standard
7.64634	0.149063	standard
7.65771	0.137705	standard
7.67796	0.239272	standard
7.6891	0.384401	standard
7.70965	0.125346	standard
7.72894	0.124515	standard
7.74944	0.384254	standard
7.76065	0.241054	standard
7.78093	0.139272	standard
7.79226	0.150377	standard
7.81252	0.0239931	standard
0.867036	0.437801	standard
0.891175	1.0	standard
0.915079	0.548248	standard
1.29839	0.0367576	standard
1.32376	0.132788	standard
1.35105	0.253462	standard
1.37576	0.283962	standard
1.40176	0.175392	standard
1.42577	0.0534243	standard
1.48175	0.0940009	standard
1.48442	0.088632	standard
1.503	0.198151	standard
1.5069	0.230768	standard
1.52971	0.284649	standard
1.55163	0.143616	standard
1.55687	0.153996	standard
1.56219	0.0912698	standard
1.57929	0.049033	standard
1.58335	0.0441424	standard
3.45259	0.379976	standard
3.47395	0.7428	standard
3.49516	0.37347	standard
3.69822	0.452333	standard
3.71045	0.339189	standard
3.7143	0.533556	standard
3.71908	0.318014	standard
3.73078	0.48858	standard
4.39284	0.487662	standard
4.40452	0.318162	standard
4.40929	0.530057	standard
4.4132	0.337345	standard
4.42538	0.454721	standard
7.64137	0.0273923	standard
7.65617	0.173126	standard
7.6636	0.165056	standard
7.67687	0.222825	standard
7.68428	0.31036	standard
7.69916	0.0838133	standard
7.73942	0.083287	standard
7.7543	0.309024	standard
7.76172	0.224226	standard
7.77498	0.163525	standard
7.78241	0.172033	standard
7.79726	0.0273663	standard
0.873168	0.460332	standard
0.891317	1.00032	standard
0.90944	0.533235	standard
1.31425	0.0378448	standard
1.33388	0.133624	standard
1.35408	0.245516	standard
1.37283	0.27792	standard
1.39187	0.166029	standard
1.41076	0.0481718	standard
1.49326	0.0869859	standard
1.49479	0.0847408	standard
1.50946	0.184674	standard
1.5112	0.198468	standard
1.51322	0.179432	standard
1.52993	0.272623	standard
1.54632	0.14498	standard
1.54822	0.146933	standard
1.55021	0.140515	standard
1.55323	0.105077	standard
1.56721	0.0527009	standard
1.56922	0.050282	standard
3.4578	0.363926	standard
3.47387	0.713667	standard
3.48991	0.361628	standard
3.70238	0.440282	standard
3.71152	0.319209	standard
3.71446	0.504977	standard
3.71798	0.302119	standard
3.72679	0.449843	standard
4.39678	0.450497	standard
4.40565	0.3037	standard
4.40911	0.503063	standard
4.41211	0.316984	standard
4.42124	0.441039	standard
7.64918	0.0292807	standard
7.66067	0.179801	standard
7.66624	0.170723	standard
7.67605	0.212265	standard
7.68156	0.278296	standard
7.69307	0.0687522	standard
7.74552	0.0684342	standard
7.75698	0.278101	standard
7.76253	0.210902	standard
7.77235	0.169511	standard
7.77791	0.178862	standard
7.78941	0.0294723	standard
0.876847	0.476154	standard
0.891433	1.001	standard
0.905985	0.523829	standard
1.32403	0.038987	standard
1.33982	0.130165	standard
1.35504	0.249056	standard
1.371	0.274061	standard
1.38638	0.162061	standard
1.40152	0.0471314	standard
1.50053	0.0854484	standard
1.50115	0.0849059	standard
1.51435	0.191299	standard
1.51676	0.16838	standard
1.53004	0.279009	standard
1.54405	0.152878	standard
1.54654	0.136694	standard
1.55988	0.0567462	standard
1.56085	0.0555507	standard
3.46094	0.35402	standard
3.47385	0.697961	standard
3.48674	0.354134	standard
3.70491	0.432057	standard
3.71213	0.307513	standard
3.71456	0.48815	standard
3.71731	0.296254	standard
3.72438	0.436063	standard
4.39921	0.436778	standard
4.40628	0.296311	standard
4.40903	0.491756	standard
4.41147	0.306764	standard
4.41874	0.431843	standard
7.65388	0.0310129	standard
7.6632	0.185682	standard
7.66763	0.173316	standard
7.67545	0.203684	standard
7.67993	0.260302	standard
7.6892	0.0609243	standard
7.74938	0.0611783	standard
7.75871	0.260542	standard
7.76314	0.204991	standard
7.77096	0.172515	standard
7.77539	0.184781	standard
7.78471	0.0308766	standard
0.879327	0.48687	standard
0.891493	1.00015	standard
0.90363	0.517575	standard
1.33057	0.0393666	standard
1.34363	0.127494	standard
1.35657	0.25521	standard
1.36966	0.270301	standard
1.38269	0.160421	standard
1.39529	0.0477925	standard
1.50553	0.0871839	standard
1.5166	0.190305	standard
1.51906	0.167059	standard
1.5301	0.288823	standard
1.54141	0.160123	standard
1.54394	0.140746	standard
1.55508	0.0616051	standard
3.46308	0.350749	standard
3.47384	0.690558	standard
3.4846	0.350529	standard
3.70654	0.429253	standard
3.71256	0.302336	standard
3.71461	0.485065	standard
3.71688	0.293558	standard
3.7228	0.429401	standard
4.4008	0.430387	standard
4.40671	0.290504	standard
4.40903	0.484583	standard
4.41105	0.303875	standard
4.4171	0.429145	standard
7.65705	0.0321622	standard
7.66483	0.190043	standard
7.66852	0.174528	standard
7.675	0.200624	standard
7.67869	0.251956	standard
7.68653	0.0568559	standard
7.75206	0.0567298	standard
7.7599	0.251613	standard
7.76354	0.200909	standard
7.77011	0.174686	standard
7.77375	0.189817	standard
7.78159	0.0321206	standard
0.881077	0.494487	standard
0.89154	1.00149	standard
0.901952	0.511815	standard
1.33528	0.0395433	standard
1.34607	0.125942	standard
1.35767	0.262157	standard
1.36865	0.272449	standard
1.38014	0.160092	standard
1.3908	0.0470083	standard
1.50892	0.0881762	standard
1.5183	0.190635	standard
1.52073	0.17052	standard
1.53014	0.300185	standard
1.53958	0.16633	standard
1.54203	0.146062	standard
1.55154	0.0657585	standard
3.4646	0.348339	standard
3.47383	0.68497	standard
3.48304	0.348428	standard
3.70773	0.425706	standard
3.71287	0.300988	standard
3.71461	0.479679	standard
3.71658	0.289779	standard
3.72166	0.427132	standard
4.40198	0.427259	standard
4.40704	0.291557	standard
4.40898	0.484528	standard
4.41072	0.299889	standard
4.41591	0.42548	standard
7.65923	0.0329896	standard
7.66597	0.192469	standard
7.66912	0.175392	standard
7.6747	0.197642	standard
7.67785	0.245052	standard
7.68459	0.0537965	standard
7.75399	0.0539708	standard
7.76074	0.24588	standard
7.76389	0.198272	standard
7.76947	0.175954	standard
7.77262	0.19311	standard
7.77936	0.0330911	standard
0.881787	0.495069	standard
0.891556	1.00062	standard
0.901296	0.511901	standard
1.33713	0.0404875	standard
1.34722	0.128053	standard
1.35807	0.262221	standard
1.3682	0.274552	standard
1.37905	0.156863	standard
1.38896	0.0484884	standard
1.51028	0.0872476	standard
1.519	0.191148	standard
1.52134	0.171196	standard
1.52806	0.141513	standard
1.53012	0.305186	standard
1.53889	0.170211	standard
1.54124	0.148209	standard
1.5501	0.0685944	standard
3.46519	0.346996	standard
3.47382	0.682776	standard
3.48245	0.347178	standard
3.70813	0.4239	standard
3.71301	0.298873	standard
3.71464	0.479892	standard
3.71646	0.289474	standard
3.72116	0.425998	standard
4.40241	0.424535	standard
4.40716	0.290981	standard
4.40895	0.479776	standard
4.41061	0.297517	standard
4.41542	0.424167	standard
7.66012	0.0333641	standard
7.66641	0.194264	standard
7.66937	0.176307	standard
7.67455	0.197057	standard
7.6775	0.243397	standard
7.6838	0.0526836	standard
7.75479	0.0528808	standard
7.76109	0.242453	standard
7.76404	0.196335	standard
7.76922	0.175658	standard
7.77217	0.193518	standard
7.77847	0.033484	standard
0.882403	0.49677	standard
0.891567	1.00016	standard
0.900695	0.50949	standard
1.33881	0.0403055	standard
1.34817	0.129161	standard
1.35846	0.263748	standard
1.36788	0.274334	standard
1.3781	0.157802	standard
1.3874	0.0482528	standard
1.51149	0.089884	standard
1.51963	0.191601	standard
1.52189	0.172476	standard
1.52806	0.13989	standard
1.53012	0.313065	standard
1.53828	0.169196	standard
1.54054	0.150951	standard
1.54879	0.0689841	standard
3.46574	0.346202	standard
3.47382	0.680948	standard
3.4819	0.34636	standard
3.7086	0.423434	standard
3.71309	0.295312	standard
3.71467	0.480955	standard
3.71633	0.290512	standard
3.72077	0.425055	standard
4.4028	0.423362	standard
4.40728	0.290508	standard
4.40895	0.478455	standard
4.4105	0.298409	standard
4.41502	0.422818	standard
7.66086	0.0337837	standard
7.66681	0.195429	standard
7.66957	0.176718	standard
7.67445	0.196165	standard
7.6772	0.241425	standard
7.68311	0.0517447	standard
7.75548	0.0519659	standard
7.76138	0.240356	standard
7.76414	0.195345	standard
7.76902	0.175978	standard
7.77178	0.194581	standard
7.77768	0.0338491	standard
0.883436	0.50441	standard
0.891582	1.00002	standard
0.899699	0.512285	standard
1.34154	0.0400961	standard
1.34982	0.131478	standard
1.35901	0.267876	standard
1.36735	0.27877	standard
1.37653	0.157337	standard
1.38477	0.0482435	standard
1.51349	0.0898747	standard
1.52072	0.193949	standard
1.52278	0.17672	standard
1.52815	0.136931	standard
1.53007	0.324914	standard
1.5373	0.173439	standard
1.5394	0.156454	standard
1.54666	0.0707611	standard
3.46666	0.346772	standard
3.47381	0.681135	standard
3.48101	0.345487	standard
3.70927	0.424075	standard
3.71328	0.295481	standard
3.71467	0.480173	standard
3.71614	0.290038	standard
3.7201	0.422441	standard
4.40347	0.42405	standard
4.40745	0.288432	standard
4.40895	0.476231	standard
4.41031	0.299191	standard
4.41433	0.42161	standard
7.66215	0.0345189	standard
7.6674	0.197598	standard
7.66986	0.177607	standard
7.6742	0.193804	standard
7.67666	0.237074	standard
7.68197	0.0504756	standard
7.75667	0.050565	standard
7.76193	0.238464	standard
7.76439	0.194956	standard
7.76867	0.177724	standard
7.77113	0.197634	standard
7.77639	0.034527	standard
0.883853	0.505324	standard
0.891589	1.0002	standard
0.899278	0.506544	standard
1.34267	0.0407891	standard
1.35052	0.133784	standard
1.35925	0.273293	standard
1.36715	0.277039	standard
1.37586	0.158705	standard
1.38364	0.0486693	standard
1.51432	0.0885654	standard
1.52117	0.19542	standard
1.52316	0.179245	standard
1.52817	0.137202	standard
1.53006	0.328472	standard
1.53691	0.17663	standard
1.53891	0.160066	standard
1.54579	0.0737766	standard
3.46703	0.34567	standard
3.47381	0.681312	standard
3.48064	0.34684	standard
3.70956	0.42425	standard
3.71335	0.295529	standard
3.71467	0.479591	standard
3.71608	0.28891	standard
3.71987	0.424071	standard
4.40377	0.424275	standard
4.40751	0.288393	standard
4.40895	0.474377	standard
4.41027	0.295497	standard
4.41406	0.422205	standard
7.66269	0.0346139	standard
7.6677	0.198915	standard
7.67001	0.177252	standard
7.67415	0.1953	standard
7.67641	0.238102	standard
7.68147	0.0499305	standard
7.75717	0.0500671	standard
7.76212	0.237182	standard
7.76449	0.194238	standard
7.76857	0.178413	standard
7.77088	0.197661	standard
7.77589	0.0348187	standard
0.88424	0.510502	standard
0.891592	1.00037	standard
0.898917	0.512099	standard
1.34372	0.0400993	standard
1.35118	0.136256	standard
1.35947	0.276397	standard
1.36695	0.281509	standard
1.37522	0.161839	standard
1.38264	0.0486353	standard
1.51507	0.0901433	standard
1.52157	0.192846	standard
1.5235	0.18133	standard
1.52825	0.138168	standard
1.53004	0.329532	standard
1.53653	0.178708	standard
1.53843	0.161185	standard
1.545	0.0750576	standard
3.46735	0.34724	standard
3.4738	0.683183	standard
3.48026	0.345588	standard
3.70981	0.421924	standard
3.71342	0.297024	standard
3.71467	0.479333	standard
3.71604	0.288589	standard
3.71958	0.425105	standard
4.40407	0.425237	standard
4.40762	0.293445	standard
4.40893	0.471821	standard
4.4102	0.294609	standard
4.41381	0.422752	standard
7.66319	0.0349976	standard
7.6679	0.199656	standard
7.67016	0.17857	standard
7.67405	0.195177	standard
7.67621	0.237447	standard
7.68097	0.0496219	standard
7.75756	0.0496009	standard
7.76232	0.236953	standard
7.76454	0.193266	standard
7.76842	0.177812	standard
7.77064	0.200105	standard
7.7754	0.0351647	standard
0.884934	0.507162	standard
0.891617	1.00395	standard
0.898222	0.509105	standard
1.34546	0.0410897	standard
1.35228	0.135568	standard
1.35982	0.279921	standard
1.3666	0.283184	standard
1.37415	0.157833	standard
1.38086	0.0486011	standard
1.51641	0.0917215	standard
1.52232	0.192477	standard
1.52404	0.179585	standard
1.52836	0.135462	standard
1.53001	0.334147	standard
1.5359	0.180217	standard
1.53766	0.168015	standard
1.54358	0.0767739	standard
3.46794	0.345681	standard
3.4738	0.680295	standard
3.47969	0.342996	standard
3.71026	0.423406	standard
3.71351	0.293546	standard
3.71467	0.476156	standard
3.71589	0.287299	standard
3.71918	0.422974	standard
4.40446	0.423301	standard
4.40771	0.289522	standard
4.40893	0.466267	standard
4.41008	0.293102	standard
4.41334	0.419645	standard
7.66403	0.0355648	standard
7.66834	0.199221	standard
7.67036	0.179164	standard
7.67385	0.192622	standard
7.67592	0.233808	standard
7.68018	0.0487004	standard
7.75835	0.0485427	standard
7.76272	0.234839	standard
7.76469	0.193792	standard
7.76822	0.177592	standard
7.77024	0.200944	standard
7.77455	0.0352809	standard
0.885949	0.511413	standard
0.891628	1.00875	standard
0.897231	0.507072	standard
1.34824	0.0408626	standard
1.35397	0.138427	standard
1.36038	0.282549	standard
1.36607	0.288287	standard
1.37251	0.158805	standard
1.3782	0.0477093	standard
1.51844	0.0926471	standard
1.52344	0.19393	standard
1.52494	0.184939	standard
1.52855	0.136455	standard
1.52995	0.344166	standard
1.53124	0.128022	standard
1.53494	0.185142	standard
1.53643	0.174998	standard
1.54144	0.0802118	standard
3.46884	0.346554	standard
3.4738	0.681825	standard
3.47875	0.346678	standard
3.71095	0.424359	standard
3.7137	0.294752	standard
3.71467	0.475153	standard
3.71572	0.284927	standard
3.71849	0.423988	standard
4.40516	0.42441	standard
4.4079	0.294953	standard
4.40887	0.476296	standard
4.4099	0.287375	standard
4.41269	0.423845	standard
7.66532	0.0364378	standard
7.66899	0.204393	standard
7.67066	0.181163	standard
7.67365	0.193176	standard
7.67532	0.232727	standard
7.67899	0.0474881	standard
7.75954	0.0474811	standard
7.76321	0.232698	standard
7.76489	0.193104	standard
7.76788	0.179865	standard
7.76965	0.203202	standard
7.77327	0.0360737	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Bis-2-butoxyethyl-phthalate

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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