Cis-3-hexen-1-ol

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01816
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
	Note 1	coupling to 13,14 approx
	Note 2	1H decouple 11,12 and 15,16

Sample description:

Compound	Type	Concentration
cis-3-hexen-1-ol	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	500uM

Show/Hide Spin System Matrix

Spin System Matrix

	8	9	10	11	12	13	14	15	16	17	18
8	0.935	-12.5	-12.5	7.569	7.569	0	0	0	0	0	0
9	0	0.935	-12.5	7.569	7.569	0	0	0	0	0	0
10	0	0	0.935	7.569	7.569	0	0	0	0	0	0
11	0	0	0	2.051	-14.245	8.855	0	0	0	0	0
12	0	0	0	0	2.065	5.629	0	0	0	0	0
13	0	0	0	0	0	5.387	10.764	0	0	0	0
14	0	0	0	0	0	0	5.59	5.629	8.855	0	0
15	0	0	0	0	0	0	0	2.307	-14.013	6.536	6.536
16	0	0	0	0	0	0	0	0	2.292	6.536	6.536
17	0	0	0	0	0	0	0	0	0	3.6	-12.4
18	0	0	0	0	0	0	0	0	0	0	3.6

Spectra

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

PPM	Amplitude	Peak Type
0.919791	0.510584	standard
0.934923	1.0	standard
0.950054	0.510584	standard
1.99723	0.00503073	standard
2.01245	0.0152459	standard
2.02584	0.061125	standard
2.03052	0.0621317	standard
2.04112	0.213543	standard
2.04555	0.186351	standard
2.0566	0.334801	standard
2.0721	0.255071	standard
2.07341	0.247286	standard
2.08761	0.0838616	standard
2.08865	0.0852515	standard
2.10251	0.00968946	standard
2.11747	0.00322575	standard
2.24861	0.00957701	standard
2.26178	0.0200562	standard
2.27667	0.113565	standard
2.28187	0.114492	standard
2.28992	0.240546	standard
2.2948	0.334951	standard
2.30768	0.36682	standard
2.31929	0.147498	standard
2.32046	0.148352	standard
2.33589	0.0192776	standard
2.34888	0.00572669	standard
3.58752	0.480742	standard
3.60061	0.944895	standard
3.61364	0.47942	standard
5.36129	0.103182	standard
5.37447	0.128641	standard
5.37703	0.132956	standard
5.38279	0.139045	standard
5.39018	0.118491	standard
5.39594	0.159644	standard
5.39853	0.156214	standard
5.41169	0.127091	standard
5.56562	0.127007	standard
5.57872	0.154887	standard
5.58141	0.158526	standard
5.58711	0.118597	standard
5.59451	0.13925	standard
5.60019	0.131672	standard
5.60291	0.126968	standard
5.61603	0.10321	standard
0.745843	0.510759	standard
0.934924	1.0	standard
1.12401	0.511527	standard
1.48645	0.0113201	standard
1.68428	0.089729	standard
1.74751	0.0545281	standard
1.87002	0.300761	standard
2.05455	0.527358	standard
2.13066	0.214399	standard
2.23369	0.530098	standard
2.36585	0.463579	standard
2.47876	0.133368	standard
2.52686	0.1858	standard
2.73997	0.0146591	standard
3.44847	0.465135	standard
3.60823	0.685378	standard
3.76823	0.265886	standard
4.7591	0.00239913	standard
5.03821	0.0405111	standard
5.20847	0.053161	standard
5.30482	0.150726	standard
5.34843	0.111699	standard
5.40513	0.250161	standard
5.47929	0.300391	standard
5.51411	0.307802	standard
5.5824	0.237377	standard
5.64057	0.101792	standard
5.68153	0.131326	standard
5.77517	0.0462762	standard
5.94849	0.032252	standard
0.808869	0.510691	standard
0.934923	1.0	standard
1.06098	0.510876	standard
1.56947	0.00399813	standard
1.63741	0.00516712	standard
1.69772	0.00701812	standard
1.81089	0.0892885	standard
1.93403	0.305279	standard
2.00004	0.0972592	standard
2.05641	0.455604	standard
2.1324	0.216133	standard
2.17975	0.381413	standard
2.2402	0.4498	standard
2.30412	0.204156	standard
2.34723	0.486567	standard
2.45619	0.189581	standard
2.58861	0.00982112	standard
2.63294	0.00666412	standard
3.49658	0.48051	standard
3.60478	0.788777	standard
3.71335	0.340391	standard
4.97324	0.00173513	standard
5.15697	0.047859	standard
5.2715	0.0567063	standard
5.3348	0.140296	standard
5.44098	0.322922	standard
5.4911	0.167557	standard
5.54135	0.299846	standard
5.64671	0.130753	standard
5.71253	0.055189	standard
5.82456	0.0433724	standard
0.840381	0.510652	standard
0.934923	1.0	standard
1.02946	0.510726	standard
1.70634	0.00327413	standard
1.87258	0.0958244	standard
1.96534	0.332521	standard
2.057	0.487166	standard
2.14985	0.378719	standard
2.2551	0.509022	standard
2.33759	0.521596	standard
2.41998	0.202277	standard
2.58573	0.00401012	standard
3.5216	0.486509	standard
3.60302	0.844311	standard
3.68451	0.38069	standard
5.21614	0.0558504	standard
5.30242	0.0765032	standard
5.34998	0.141335	standard
5.39191	0.0491093	standard
5.43561	0.262423	standard
5.48998	0.14884	standard
5.54448	0.255282	standard
5.5885	0.0491001	standard
5.62967	0.136454	standard
5.67752	0.077119	standard
5.76354	0.0532333	standard
0.850885	0.51064	standard
0.934923	1.0	standard
1.01896	0.510691	standard
1.73233	0.00292612	standard
1.81704	0.00641012	standard
1.89329	0.0954107	standard
1.97554	0.332562	standard
2.05699	0.490758	standard
2.13916	0.359758	standard
2.1891	0.176931	standard
2.22262	0.148532	standard
2.26111	0.489924	standard
2.3337	0.53007	standard
2.40674	0.204006	standard
2.57125	0.00314712	standard
3.53008	0.487726	standard
3.60251	0.858628	standard
3.67501	0.39399	standard
5.23583	0.059857	standard
5.31307	0.0857548	standard
5.35493	0.142085	standard
5.39181	0.0498191	standard
5.43143	0.244391	standard
5.47964	0.154054	standard
5.48663	0.15505	standard
5.49204	0.154672	standard
5.50115	0.156212	standard
5.548	0.243789	standard
5.58751	0.0491521	standard
5.62425	0.138089	standard
5.66631	0.084313	standard
5.74336	0.0575031	standard
0.859289	0.51063	standard
0.934923	1.0	standard
1.01056	0.510667	standard
1.76804	0.00271012	standard
1.90984	0.0977123	standard
1.98387	0.34216	standard
2.05708	0.505623	standard
2.13098	0.366968	standard
2.2021	0.246312	standard
2.265	0.50924	standard
2.33061	0.552491	standard
2.39652	0.211894	standard
3.53692	0.489009	standard
3.60214	0.873393	standard
3.66738	0.404817	standard
5.25151	0.062792	standard
5.32114	0.09314	standard
5.35879	0.141114	standard
5.38953	0.0516204	standard
5.42755	0.247247	standard
5.48485	0.20431	standard
5.4942	0.206148	standard
5.55126	0.243262	standard
5.58974	0.051131	standard
5.61999	0.138998	standard
5.65782	0.0929062	standard
5.72729	0.0614553	standard
0.897106	0.510596	standard
0.934923	1.0	standard
0.972739	0.510601	standard
1.91072	0.002871	standard
1.94861	0.007426	standard
1.98372	0.09318	standard
2.02008	0.350454	standard
2.05737	0.551462	standard
2.09489	0.398725	standard
2.13251	0.114718	standard
2.17024	0.00708612	standard
2.17589	0.00748225	standard
2.20965	0.0108111	standard
2.24939	0.156742	standard
2.28298	0.492643	standard
2.31636	0.554791	standard
2.34955	0.222444	standard
2.38508	0.00861825	standard
3.56826	0.485477	standard
3.60094	0.920918	standard
3.63356	0.452559	standard
5.32112	0.0824362	standard
5.3569	0.133214	standard
5.37486	0.138118	standard
5.39233	0.088439	standard
5.41051	0.219986	standard
5.446	0.13547	standard
5.48341	0.005871	standard
5.49531	0.00592	standard
5.53166	0.135497	standard
5.56712	0.215665	standard
5.58534	0.0885623	standard
5.60276	0.138083	standard
5.62077	0.13247	standard
5.6565	0.0823606	standard
0.909712	0.510589	standard
0.934923	1.0	standard
0.960134	0.51059	standard
1.95885	0.00345222	standard
1.98413	0.00960611	standard
2.00698	0.0742598	standard
2.00973	0.078569	standard
2.03209	0.301649	standard
2.05736	0.499731	standard
2.08262	0.374604	standard
2.10786	0.111563	standard
2.13156	0.00628612	standard
2.15551	0.0025	standard
2.21676	0.0065675	standard
2.23882	0.0133621	standard
2.26381	0.133195	standard
2.26756	0.134849	standard
2.28934	0.446751	standard
2.31123	0.523239	standard
2.33318	0.212528	standard
2.35784	0.010691	standard
2.37982	0.00311337	standard
3.57894	0.475282	standard
3.6007	0.929735	standard
3.62246	0.468172	standard
5.34364	0.0931695	standard
5.3684	0.135708	standard
5.37947	0.138586	standard
5.39156	0.10498	standard
5.40276	0.188201	standard
5.40395	0.187458	standard
5.42741	0.131129	standard
5.45286	0.004031	standard
5.52522	0.00412238	standard
5.55002	0.131122	standard
5.57313	0.183169	standard
5.57488	0.184215	standard
5.58585	0.105049	standard
5.59794	0.138595	standard
5.6089	0.134377	standard
5.61045	0.13294	standard
5.63379	0.0931426	standard
0.916014	0.510586	standard
0.934923	1.0	standard
0.953831	0.510587	standard
1.9829	0.00420757	standard
2.00188	0.0123255	standard
2.01873	0.065323	standard
2.02267	0.0686056	standard
2.03787	0.250276	standard
2.04138	0.211659	standard
2.05718	0.415274	standard
2.07642	0.322437	standard
2.09552	0.1019	standard
2.11312	0.0077128	standard
2.13166	0.00266463	standard
2.23672	0.0079716	standard
2.25325	0.0166563	standard
2.27189	0.12096	standard
2.27649	0.121044	standard
2.28855	0.268869	standard
2.2926	0.387645	standard
2.3087	0.455529	standard
2.32487	0.187285	standard
2.34412	0.0144195	standard
2.36042	0.00419201	standard
3.5843	0.475764	standard
3.60064	0.935582	standard
3.61691	0.475881	standard
5.3547	0.0994921	standard
5.3716	0.131095	standard
5.37398	0.134222	standard
5.3816	0.139193	standard
5.3908	0.113682	standard
5.3984	0.169594	standard
5.40082	0.167353	standard
5.41764	0.128876	standard
5.55969	0.12887	standard
5.57647	0.1658	standard
5.579	0.16833	standard
5.58653	0.113745	standard
5.59574	0.139217	standard
5.60327	0.132234	standard
5.60587	0.128885	standard
5.62264	0.0994982	standard
0.919796	0.510584	standard
0.934923	1.0	standard
0.950049	0.510584	standard
1.99724	0.00503125	standard
2.01245	0.0152441	standard
2.02585	0.0611528	standard
2.03052	0.0621079	standard
2.04112	0.213407	standard
2.04556	0.186373	standard
2.05661	0.334506	standard
2.0721	0.254926	standard
2.07341	0.247203	standard
2.08761	0.0838457	standard
2.08864	0.085236	standard
2.10251	0.00969346	standard
2.11746	0.00322589	standard
2.24861	0.0095769	standard
2.26179	0.0200564	standard
2.27669	0.113613	standard
2.28187	0.114494	standard
2.28993	0.240559	standard
2.2948	0.334933	standard
2.30768	0.366795	standard
2.31926	0.147113	standard
2.32047	0.148023	standard
2.33588	0.0192951	standard
2.34884	0.00572852	standard
3.58752	0.480718	standard
3.60061	0.944994	standard
3.61364	0.479394	standard
5.36129	0.103179	standard
5.37446	0.128287	standard
5.37706	0.132772	standard
5.38279	0.139083	standard
5.39018	0.118487	standard
5.39594	0.159622	standard
5.39853	0.156195	standard
5.41167	0.127	standard
5.56562	0.126996	standard
5.57872	0.154673	standard
5.58142	0.158328	standard
5.58711	0.118622	standard
5.59451	0.139238	standard
5.60019	0.131658	standard
5.60291	0.126957	standard
5.61602	0.103258	standard
0.922317	0.510584	standard
0.934923	1.0	standard
0.947528	0.510584	standard
2.00672	0.00590435	standard
2.01941	0.0182143	standard
2.03061	0.059676	standard
2.03581	0.0593379	standard
2.04329	0.193288	standard
2.04834	0.173658	standard
2.05621	0.289099	standard
2.05918	0.239145	standard
2.06057	0.214256	standard
2.0691	0.215084	standard
2.07171	0.206597	standard
2.08194	0.0703651	standard
2.0843	0.0761958	standard
2.09554	0.0120909	standard
2.10804	0.00398169	standard
2.25649	0.01143	standard
2.26741	0.0238874	standard
2.27983	0.109769	standard
2.28558	0.113031	standard
2.29084	0.224285	standard
2.29327	0.183159	standard
2.29629	0.305631	standard
2.30205	0.165735	standard
2.3043	0.261936	standard
2.30704	0.319501	standard
2.31524	0.124177	standard
2.31782	0.125805	standard
2.33042	0.0242046	standard
2.34116	0.00743506	standard
3.5897	0.481092	standard
3.60056	0.94719	standard
3.61141	0.481092	standard
5.36566	0.106022	standard
5.3764	0.127175	standard
5.37901	0.132616	standard
5.38354	0.13947	standard
5.38975	0.122126	standard
5.39431	0.153993	standard
5.39691	0.149532	standard
5.40765	0.12605	standard
5.56961	0.12618	standard
5.58031	0.14825	standard
5.58303	0.15294	standard
5.58753	0.122466	standard
5.59372	0.139677	standard
5.59822	0.131717	standard
5.60095	0.126042	standard
5.61165	0.106127	standard
0.924118	0.510584	standard
0.934923	1.0	standard
0.945727	0.510584	standard
2.01344	0.00680072	standard
2.02432	0.0211318	standard
2.0339	0.0586916	standard
2.03964	0.0593221	standard
2.04474	0.179067	standard
2.05038	0.166668	standard
2.0559	0.258526	standard
2.05956	0.211732	standard
2.06101	0.196862	standard
2.06701	0.193813	standard
2.0703	0.188135	standard
2.07795	0.0631236	standard
2.0811	0.0731799	standard
2.09065	0.0147165	standard
2.10138	0.00483346	standard
2.262	0.0132588	standard
2.2714	0.0278014	standard
2.282	0.107165	standard
2.28832	0.119639	standard
2.29142	0.216527	standard
2.29354	0.159293	standard
2.29738	0.290432	standard
2.30083	0.161997	standard
2.30304	0.235122	standard
2.30655	0.29488	standard
2.31243	0.115864	standard
2.31581	0.115842	standard
2.3266	0.0291485	standard
2.33581	0.00927375	standard
3.59119	0.480717	standard
3.60056	0.947186	standard
3.60988	0.481804	standard
5.36875	0.108191	standard
5.37783	0.12713	standard
5.38032	0.133385	standard
5.38411	0.13981	standard
5.3894	0.125083	standard
5.39317	0.150841	standard
5.39566	0.145584	standard
5.40475	0.125468	standard
5.57248	0.125453	standard
5.58157	0.144881	standard
5.58415	0.150378	standard
5.58783	0.125301	standard
5.5932	0.13982	standard
5.59691	0.133069	standard
5.59949	0.126572	standard
5.60855	0.108021	standard
0.924838	0.51058	standard
0.934923	1.0	standard
0.945007	0.51058	standard
2.0161	0.0072415	standard
2.02626	0.0226218	standard
2.0353	0.059371	standard
2.04124	0.0606095	standard
2.04538	0.177018	standard
2.05125	0.165278	standard
2.05577	0.254305	standard
2.05972	0.201946	standard
2.0612	0.190375	standard
2.06614	0.189412	standard
2.06975	0.181847	standard
2.07634	0.0613585	standard
2.07984	0.072257	standard
2.08869	0.0160367	standard
2.09872	0.00528549	standard
2.26423	0.0142079	standard
2.27296	0.0296269	standard
2.27481	0.0176636	standard
2.28289	0.10658	standard
2.28944	0.128652	standard
2.29165	0.215468	standard
2.29374	0.151642	standard
2.29783	0.287484	standard
2.3003	0.167947	standard
2.30256	0.227817	standard
2.30638	0.283563	standard
2.31132	0.114708	standard
2.31503	0.113229	standard
2.32511	0.0317209	standard
2.33363	0.0102417	standard
3.59183	0.481722	standard
3.60056	0.947191	standard
3.60923	0.480763	standard
5.36994	0.109298	standard
5.37836	0.126076	standard
5.38088	0.132788	standard
5.38431	0.140027	standard
5.3893	0.126462	standard
5.39268	0.149333	standard
5.39518	0.143154	standard
5.40359	0.124968	standard
5.57367	0.125184	standard
5.58206	0.142828	standard
5.5846	0.148514	standard
5.58801	0.126214	standard
5.59295	0.139874	standard
5.59636	0.133026	standard
5.59891	0.126379	standard
5.60729	0.109012	standard
0.925469	0.510577	standard
0.934923	1.0	standard
0.944377	0.510577	standard
2.01844	0.00768101	standard
2.02796	0.0240817	standard
2.03644	0.0594615	standard
2.04262	0.0633249	standard
2.04588	0.172539	standard
2.05199	0.165886	standard
2.05567	0.244008	standard
2.05983	0.194824	standard
2.06132	0.186327	standard
2.06542	0.184357	standard
2.06924	0.177414	standard
2.07498	0.0604916	standard
2.0787	0.0722061	standard
2.08708	0.0174932	standard
2.09649	0.00573424	standard
2.26611	0.0151099	standard
2.27432	0.0314472	standard
2.2762	0.018619	standard
2.28369	0.106176	standard
2.29178	0.220594	standard
2.29383	0.146171	standard
2.29828	0.288835	standard
2.30212	0.224206	standard
2.30623	0.278791	standard
2.31031	0.115367	standard
2.31435	0.111073	standard
2.32378	0.0340688	standard
2.33175	0.0112137	standard
3.59238	0.480394	standard
3.60056	0.947037	standard
3.60869	0.481802	standard
5.37103	0.109972	standard
5.37889	0.126226	standard
5.38133	0.133611	standard
5.38451	0.140239	standard
5.38913	0.127325	standard
5.39228	0.146911	standard
5.39479	0.140686	standard
5.40257	0.124924	standard
5.57466	0.124598	standard
5.58244	0.141028	standard
5.58496	0.147378	standard
5.58813	0.127017	standard
5.5928	0.140004	standard
5.5959	0.133673	standard
5.59842	0.126306	standard
5.6062	0.109747	standard
0.926519	0.510579	standard
0.934923	1.0	standard
0.943327	0.510579	standard
2.02229	0.00853408	standard
2.03076	0.0269317	standard
2.03833	0.0598917	standard
2.04666	0.170259	standard
2.05329	0.181072	standard
2.05533	0.239511	standard
2.06017	0.187968	standard
2.06155	0.188875	standard
2.06408	0.183297	standard
2.06853	0.171924	standard
2.07256	0.061998	standard
2.07694	0.0720305	standard
2.08426	0.0202136	standard
2.09263	0.00666224	standard
2.26928	0.0168788	standard
2.27657	0.0350785	standard
2.27835	0.0207435	standard
2.28487	0.10523	standard
2.29204	0.264861	standard
2.29387	0.145091	standard
2.2991	0.334252	standard
2.30129	0.22803	standard
2.30601	0.266185	standard
2.30854	0.126692	standard
2.31316	0.10762	standard
2.3216	0.0386285	standard
2.32868	0.0131396	standard
3.59327	0.47944	standard
3.60056	0.945908	standard
3.60779	0.481205	standard
5.37282	0.111046	standard
5.3797	0.126706	standard
5.38203	0.134195	standard
5.3848	0.139911	standard
5.3889	0.128747	standard
5.39167	0.146002	standard
5.39401	0.139198	standard
5.40088	0.124028	standard
5.57635	0.12408	standard
5.58322	0.138429	standard
5.58566	0.145753	standard
5.58833	0.129517	standard
5.59246	0.139864	standard
5.5952	0.134555	standard
5.59754	0.126818	standard
5.60441	0.111138	standard
0.926962	0.510574	standard
0.934923	1.0	standard
0.942884	0.510574	standard
2.02395	0.00895375	standard
2.03197	0.0284591	standard
2.03909	0.0592759	standard
2.04694	0.171137	standard
2.05499	0.241535	standard
2.06029	0.185788	standard
2.06169	0.196758	standard
2.06354	0.185672	standard
2.06821	0.169175	standard
2.07156	0.0648067	standard
2.07618	0.0716495	standard
2.08315	0.0215745	standard
2.09108	0.00711839	standard
2.27057	0.0177208	standard
2.27753	0.0369323	standard
2.27926	0.0218261	standard
2.28537	0.104516	standard
2.29235	0.266209	standard
2.29383	0.147522	standard
2.29925	0.351188	standard
2.30089	0.241471	standard
2.30595	0.262595	standard
2.30762	0.145516	standard
2.31277	0.107437	standard
2.32071	0.0408142	standard
2.32739	0.0141015	standard
3.59367	0.479027	standard
3.60056	0.945421	standard
3.6074	0.480986	standard
5.37361	0.111692	standard
5.38009	0.126956	standard
5.38233	0.134851	standard
5.3849	0.140165	standard
5.3888	0.129459	standard
5.39137	0.144823	standard
5.39371	0.137481	standard
5.40019	0.123801	standard
5.57714	0.123965	standard
5.58352	0.137792	standard
5.58586	0.144991	standard
5.58843	0.129549	standard
5.59233	0.140035	standard
5.5949	0.134182	standard
5.59724	0.126142	standard
5.60362	0.111633	standard
0.92736	0.510573	standard
0.934923	1.0	standard
0.942486	0.510573	standard
2.02536	0.00933489	standard
2.03298	0.0293437	standard
2.03979	0.0598357	standard
2.04718	0.181449	standard
2.05464	0.277771	standard
2.06039	0.184465	standard
2.06192	0.219629	standard
2.06294	0.198614	standard
2.06791	0.16738	standard
2.07057	0.0714361	standard
2.07548	0.0722497	standard
2.08215	0.0230278	standard
2.08969	0.00756953	standard
2.27176	0.0185528	standard
2.27832	0.038485	standard
2.28009	0.022521	standard
2.28579	0.103427	standard
2.29252	0.227975	standard
2.29955	0.334044	standard
2.30592	0.269011	standard
2.31227	0.105288	standard
2.3199	0.0436052	standard
2.3263	0.0150125	standard
3.59401	0.480611	standard
3.60056	0.945063	standard
3.60705	0.478845	standard
5.37431	0.112101	standard
5.38038	0.126203	standard
5.38264	0.134768	standard
5.385	0.14033	standard
5.38881	0.130407	standard
5.39117	0.144701	standard
5.39342	0.137081	standard
5.3995	0.12369	standard
5.57774	0.12351	standard
5.58381	0.136328	standard
5.58617	0.144333	standard
5.58853	0.130528	standard
5.59223	0.140502	standard
5.5946	0.135129	standard
5.59685	0.126498	standard
5.60303	0.111911	standard
0.928047	0.510561	standard
0.934923	1.0	standard
0.941798	0.510561	standard
2.02786	0.010128	standard
2.03479	0.0321067	standard
2.04107	0.0614963	standard
2.04793	0.186744	standard
2.05505	0.32583	standard
2.06081	0.200718	standard
2.06201	0.289138	standard
2.06747	0.166867	standard
2.06875	0.117115	standard
2.07434	0.0725765	standard
2.08042	0.0256799	standard
2.08727	0.00844708	standard
2.27384	0.0201278	standard
2.27979	0.0416675	standard
2.28139	0.024712	standard
2.28655	0.103895	standard
2.29254	0.192254	standard
2.29423	0.198377	standard
2.3001	0.401371	standard
2.3059	0.309285	standard
2.31164	0.103989	standard
2.31852	0.0463283	standard
2.32432	0.0168345	standard
3.59461	0.480334	standard
3.60056	0.944547	standard
3.60645	0.478163	standard
5.3754	0.112693	standard
5.38097	0.126234	standard
5.38314	0.135783	standard
5.3852	0.140952	standard
5.38861	0.131396	standard
5.39075	0.144094	standard
5.39283	0.136589	standard
5.3984	0.123116	standard
5.57883	0.123179	standard
5.5844	0.135973	standard
5.58657	0.144695	standard
5.58863	0.132261	standard
5.59204	0.141014	standard
5.59409	0.135406	standard
5.59632	0.125196	standard
5.60184	0.112844	standard
0.929105	0.510548	standard
0.934923	1.0	standard
0.940741	0.510548	standard
2.03163	0.01154	standard
2.03748	0.0364872	standard
2.04306	0.0640232	standard
2.04853	0.149466	standard
2.05496	0.23257	standard
2.0563	0.162602	standard
2.06089	0.281713	standard
2.06207	0.172626	standard
2.06678	0.192125	standard
2.07266	0.073058	standard
2.07775	0.030401	standard
2.08355	0.0100385	standard
2.27692	0.0230108	standard
2.28194	0.0473341	standard
2.2834	0.028233	standard
2.28764	0.101308	standard
2.29271	0.17677	standard
2.29422	0.121521	standard
2.29596	0.108666	standard
2.29781	0.121426	standard
2.29926	0.206237	standard
2.30088	0.231946	standard
2.30443	0.130634	standard
2.30566	0.239069	standard
2.31059	0.101305	standard
2.31647	0.0540353	standard
2.32134	0.0202035	standard
3.5955	0.47912	standard
3.60056	0.942434	standard
3.60551	0.479629	standard
5.37728	0.113711	standard
5.38186	0.125781	standard
5.38384	0.136497	standard
5.3855	0.141481	standard
5.38841	0.133955	standard
5.39007	0.144107	standard
5.39204	0.134212	standard
5.39662	0.122661	standard
5.58061	0.122709	standard
5.58519	0.134301	standard
5.58717	0.144196	standard
5.58883	0.13403	standard
5.59174	0.141489	standard
5.5934	0.136343	standard
5.5954	0.124959	standard
5.60005	0.11367	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Cis-3-hexen-1-ol

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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