2-Hydroxyethyl-salicylate

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.00916
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2
	Note 1	18,19?20,21
	Note 2	15,17?14,16

Sample description:

Compound	Type	Concentration
2-Hydroxyethyl salicylate	Solute	100mM
CDCl3	Solvent	100%
TMS	Reference	1%

Show/Hide Spin System Matrix

Spin System Matrix

	15	14	16	17	18	19	20	21
15	7.474	7.356	1.281	8.086	0	0	0	0
14	0	6.894	8.294	1.428	0	0	0	0
16	0	0	6.992	0	0	0	0	0
17	0	0	0	7.879	0	0	0	0
18	0	0	0	0	4.495	-12.4	6.956	6.035
19	0	0	0	0	0	4.495	-0.011	5.692
20	0	0	0	0	0	0	3.986	-12.4
21	0	0	0	0	0	0	0	3.985

Spectra

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

PPM	Amplitude	Peak Type
3.95994	0.0156869	standard
3.97608	0.833117	standard
3.98263	0.467499	standard
3.98529	0.910388	standard
3.98844	0.446192	standard
3.99477	0.948062	standard
4.00723	0.0150322	standard
4.01105	0.015908	standard
4.4611	0.0137689	standard
4.48635	0.79343	standard
4.49223	0.527718	standard
4.49572	1.00001	standard
4.49877	0.541183	standard
4.50463	0.65451	standard
4.50519	0.650194	standard
4.53042	0.011397	standard
6.87592	0.217623	standard
6.87863	0.218065	standard
6.89063	0.277216	standard
6.89269	0.439646	standard
6.89524	0.339189	standard
6.90706	0.307284	standard
6.90988	0.306173	standard
6.98265	0.598369	standard
6.98526	0.607993	standard
6.99921	0.436832	standard
7.00182	0.426845	standard
7.45695	0.253631	standard
7.45957	0.256001	standard
7.47195	0.343128	standard
7.47328	0.433155	standard
7.47558	0.347145	standard
7.4878	0.271725	standard
7.49031	0.269567	standard
7.86946	0.529274	standard
7.87229	0.530621	standard
7.88563	0.492726	standard
7.88845	0.491282	standard
-0.94808	1.125e-06	standard
3.83735	0.236857	standard
3.87485	0.2794	standard
3.94873	0.467278	standard
3.96546	0.565795	standard
4.02743	0.308669	standard
4.07463	0.929494	standard
4.19348	0.164301	standard
4.22928	0.059024	standard
4.29357	0.19661	standard
4.40509	0.776451	standard
4.45591	0.284265	standard
4.48439	0.286858	standard
4.51375	0.552634	standard
4.54001	0.480332	standard
4.60312	0.276729	standard
4.64681	0.22534	standard
6.62557	0.0371372	standard
6.66189	0.0338275	standard
6.76653	0.0289973	standard
6.82992	0.246667	standard
6.86813	0.308944	standard
6.91649	0.47682	standard
6.99688	1.0	standard
7.11595	0.147201	standard
7.26047	0.187372	standard
7.33184	0.146292	standard
7.39945	0.0836197	standard
7.45958	0.350642	standard
7.54053	0.254998	standard
7.58789	0.231795	standard
7.66857	0.213197	standard
7.78761	0.482091	standard
7.82091	0.448754	standard
7.98242	0.15776	standard
8.00242	0.205518	standard
3.76654	0.00925625	standard
3.89296	0.294344	standard
3.90996	0.321194	standard
3.97179	0.708069	standard
4.00403	0.298754	standard
4.01395	0.313263	standard
4.04891	0.698755	standard
4.10179	0.131712	standard
4.15535	0.0228055	standard
4.17797	0.0205393	standard
4.20648	0.045066	standard
4.23542	0.0360901	standard
4.27728	0.0325652	standard
4.38234	0.132244	standard
4.42752	0.562399	standard
4.43754	0.506793	standard
4.47169	0.366624	standard
4.51277	0.609537	standard
4.56877	0.308655	standard
4.59037	0.275491	standard
6.72121	0.0537768	standard
6.74383	0.0497982	standard
6.82263	0.046591	standard
6.8586	0.267373	standard
6.88169	0.294035	standard
6.93768	0.562254	standard
6.95926	0.574175	standard
6.97787	1.0	standard
7.07437	0.137552	standard
7.11341	0.0254172	standard
7.21778	0.018952	standard
7.3316	0.176114	standard
7.37294	0.145871	standard
7.43223	0.115506	standard
7.46593	0.320996	standard
7.51173	0.237041	standard
7.56096	0.209295	standard
7.60724	0.200478	standard
7.70699	0.018293	standard
7.81201	0.472798	standard
7.83442	0.46518	standard
7.95214	0.235262	standard
7.96091	0.229843	standard
3.82298	0.0109126	standard
3.91881	0.385936	standard
3.92821	0.404993	standard
3.97789	0.815128	standard
4.00157	0.352962	standard
4.00649	0.351904	standard
4.0378	0.950098	standard
4.11516	0.0177221	standard
4.1467	0.0224081	standard
4.15521	0.02607	standard
4.19094	0.0274766	standard
4.29028	0.0373164	standard
4.32761	0.0176571	standard
4.39813	0.0364492	standard
4.4432	0.861915	standard
4.47671	0.43742	standard
4.5035	0.758488	standard
4.5509	0.378053	standard
4.56425	0.351697	standard
6.76766	0.0767042	standard
6.78444	0.0715801	standard
6.84787	0.0750113	standard
6.87095	0.309203	standard
6.88792	0.319819	standard
6.94939	1.0	standard
6.96541	0.673809	standard
6.97647	0.78688	standard
7.0517	0.177333	standard
7.07898	0.0565324	standard
7.26711	0.0125223	standard
7.36744	0.199348	standard
7.39495	0.169543	standard
7.44721	0.155208	standard
7.46864	0.348744	standard
7.4981	0.262018	standard
7.54502	0.227546	standard
7.5751	0.220988	standard
7.66306	0.0116933	standard
7.82649	0.512155	standard
7.8432	0.511493	standard
7.92916	0.297913	standard
7.94163	0.293462	standard
3.84147	0.011917	standard
3.92715	0.440267	standard
3.93425	0.456976	standard
3.97947	0.86757	standard
4.00031	0.381908	standard
4.00411	0.379086	standard
4.03284	1.00004	standard
4.10148	0.0179502	standard
4.12802	0.021285	standard
4.1374	0.022893	standard
4.1682	0.013543	standard
4.22454	0.013575	standard
4.25836	0.013404	standard
4.31096	0.0228127	standard
4.34523	0.0150871	standard
4.40885	0.0380743	standard
4.44822	0.921402	standard
4.47856	0.472776	standard
4.50175	0.837183	standard
4.51282	0.502305	standard
4.54489	0.419719	standard
4.55581	0.394743	standard
6.78282	0.0897198	standard
6.79775	0.0838286	standard
6.85559	0.0928408	standard
6.87462	0.337046	standard
6.88971	0.336117	standard
6.95182	0.939512	standard
6.97625	0.79449	standard
7.04416	0.201443	standard
7.06751	0.0788371	standard
7.28268	0.0106433	standard
7.37951	0.219239	standard
7.40251	0.187028	standard
7.45178	0.177322	standard
7.46953	0.371074	standard
7.49392	0.280644	standard
7.53907	0.241715	standard
7.56419	0.235488	standard
7.64917	0.00998323	standard
7.8316	0.538408	standard
7.84652	0.541482	standard
7.92245	0.3381	standard
7.93465	0.333095	standard
3.85623	0.0112482	standard
3.93367	0.430151	standard
3.93925	0.444322	standard
3.98063	0.800745	standard
3.99919	0.359358	standard
4.00178	0.356088	standard
4.02863	0.914926	standard
4.09039	0.0160296	standard
4.11352	0.0185413	standard
4.12288	0.01862	standard
4.15084	0.011339	standard
4.23194	0.00972333	standard
4.25076	0.00987245	standard
4.32841	0.0192206	standard
4.35952	0.012237	standard
4.41759	0.0348644	standard
4.45238	0.8384	standard
4.4801	0.441492	standard
4.50057	0.791922	standard
4.5115	0.462027	standard
4.54004	0.403287	standard
4.54925	0.380822	standard
6.7948	0.089903	standard
6.80829	0.0848887	standard
6.86134	0.0972088	standard
6.87739	0.321273	standard
6.89111	0.309008	standard
6.9441	0.50706	standard
6.95553	1.0	standard
6.97603	0.717729	standard
7.03823	0.197825	standard
7.05834	0.0914745	standard
7.29478	0.00786833	standard
7.38885	0.204581	standard
7.40876	0.178199	standard
7.45516	0.174098	standard
7.47011	0.342308	standard
7.49084	0.26099	standard
7.53412	0.223434	standard
7.55536	0.217966	standard
7.63846	0.00747122	standard
7.83584	0.495321	standard
7.84928	0.498825	standard
7.91742	0.326009	standard
7.92893	0.323059	standard
3.92141	0.0137573	standard
3.96161	0.673267	standard
3.97826	0.461343	standard
3.98433	0.901488	standard
3.99279	0.437333	standard
4.0081	1.00001	standard
4.03914	0.0158184	standard
4.04926	0.0181046	standard
4.05562	0.013678	standard
4.06994	0.00897511	standard
4.41023	0.0154797	standard
4.43273	0.009152	standard
4.45656	0.0378565	standard
4.47302	0.869198	standard
4.48756	0.518944	standard
4.49682	0.969174	standard
4.50373	0.532538	standard
4.51797	0.554343	standard
4.521	0.542372	standard
4.58326	0.00978313	standard
6.847	0.157347	standard
6.85379	0.155053	standard
6.88273	0.206501	standard
6.88857	0.453932	standard
6.8952	0.342664	standard
6.92387	0.383621	standard
6.93056	0.389966	standard
6.97127	0.656094	standard
6.97889	0.709526	standard
7.01271	0.327725	standard
7.02032	0.277193	standard
7.43159	0.239417	standard
7.43911	0.239762	standard
7.46741	0.272925	standard
7.47243	0.40922	standard
7.47953	0.326878	standard
7.50736	0.260769	standard
7.51509	0.256522	standard
7.85622	0.544979	standard
7.86306	0.546177	standard
7.89669	0.450913	standard
7.90337	0.448463	standard
3.9429	0.0146017	standard
3.9697	0.763087	standard
3.98072	0.470318	standard
3.98499	0.910471	standard
3.99038	0.452144	standard
4.00072	0.992045	standard
4.02156	0.0156998	standard
4.02802	0.0178497	standard
4.03257	0.0125855	standard
4.04219	0.00848905	standard
4.4383	0.0146629	standard
4.4803	0.850003	standard
4.49012	0.532826	standard
4.49612	1.00003	standard
4.50094	0.54414	standard
4.51063	0.615627	standard
4.51207	0.608029	standard
4.55382	0.0107531	standard
6.86334	0.188342	standard
6.8679	0.18763	standard
6.88766	0.250189	standard
6.89131	0.460182	standard
6.89551	0.346117	standard
6.91511	0.348074	standard
6.91968	0.349678	standard
6.97736	0.641091	standard
6.98192	0.666941	standard
7.00502	0.388757	standard
7.00958	0.363181	standard
7.44576	0.25218	standard
7.45033	0.255445	standard
7.4702	0.313509	standard
7.47286	0.42337	standard
7.47714	0.345491	standard
7.49674	0.267484	standard
7.50141	0.264577	standard
7.86348	0.54438	standard
7.8681	0.546518	standard
7.89046	0.480484	standard
7.89502	0.478671	standard
3.9536	0.0149478	standard
3.97366	0.789785	standard
3.98195	0.463647	standard
3.98519	0.89968	standard
3.98923	0.456049	standard
3.997	0.978525	standard
4.01267	0.0152801	standard
4.01741	0.0174037	standard
4.0209	0.0117985	standard
4.45248	0.0140799	standard
4.48407	0.806029	standard
4.4915	0.529759	standard
4.49582	1.00001	standard
4.4996	0.544522	standard
4.50681	0.631629	standard
4.50778	0.625381	standard
4.53914	0.011144	standard
6.87126	0.204542	standard
6.87476	0.204628	standard
6.88957	0.266542	standard
6.89225	0.448939	standard
6.89542	0.340256	standard
6.91014	0.32223	standard
6.91364	0.322682	standard
6.98062	0.615022	standard
6.98391	0.629982	standard
7.00135	0.417851	standard
7.00464	0.402717	standard
7.4528	0.253782	standard
7.45609	0.255761	standard
7.47118	0.320583	standard
7.47329	0.434999	standard
7.47617	0.345826	standard
7.49118	0.269202	standard
7.49447	0.266677	standard
7.86719	0.535591	standard
7.87069	0.53704	standard
7.88742	0.488188	standard
7.89087	0.485826	standard
3.95994	0.0156848	standard
3.97608	0.833108	standard
3.98263	0.467451	standard
3.98529	0.910427	standard
3.98844	0.446406	standard
3.99472	0.961131	standard
4.00723	0.0149833	standard
4.01105	0.0158858	standard
4.4611	0.0137669	standard
4.48635	0.793356	standard
4.49223	0.527667	standard
4.49572	1.00001	standard
4.49877	0.541125	standard
4.50463	0.654443	standard
4.50519	0.650123	standard
4.53032	0.011416	standard
6.87592	0.217634	standard
6.87863	0.218075	standard
6.89063	0.277241	standard
6.89269	0.439822	standard
6.89524	0.339179	standard
6.90706	0.307265	standard
6.90988	0.306156	standard
6.98265	0.598339	standard
6.98526	0.607959	standard
6.99921	0.436836	standard
7.00182	0.426868	standard
7.45695	0.25363	standard
7.45957	0.255999	standard
7.47194	0.3431	standard
7.47328	0.433205	standard
7.47558	0.347166	standard
7.4878	0.271719	standard
7.49031	0.26956	standard
7.86946	0.529266	standard
7.87229	0.530618	standard
7.88563	0.492729	standard
7.88845	0.491286	standard
3.95675	0.00836824	standard
3.96155	0.0107843	standard
3.96419	0.0161172	standard
3.97767	0.81226	standard
3.98314	0.471742	standard
3.98534	0.912528	standard
3.98792	0.451224	standard
3.99323	0.947535	standard
4.00368	0.0153011	standard
4.00679	0.0159696	standard
4.46676	0.0140928	standard
4.48784	0.797563	standard
4.49277	0.527595	standard
4.49572	1.00002	standard
4.49824	0.545054	standard
4.50309	0.669018	standard
4.50354	0.663559	standard
4.52457	0.011793	standard
6.87899	0.22286	standard
6.88132	0.223578	standard
6.8913	0.287386	standard
6.89295	0.435635	standard
6.89504	0.339214	standard
6.90497	0.297493	standard
6.9073	0.29691	standard
6.98403	0.587875	standard
6.98615	0.594777	standard
6.99786	0.447599	standard
7.00004	0.442082	standard
7.45983	0.256185	standard
7.46195	0.257563	standard
7.4733	0.425306	standard
7.47404	0.419388	standard
7.47514	0.358862	standard
7.48541	0.266597	standard
7.48764	0.265511	standard
7.87105	0.524153	standard
7.87338	0.526347	standard
7.88454	0.500657	standard
7.88682	0.496267	standard
3.96502	0.0106276	standard
3.96726	0.0160376	standard
3.97881	0.823218	standard
3.98344	0.46105	standard
3.98539	0.919214	standard
3.98759	0.44555	standard
3.99214	0.935367	standard
4.00111	0.0151529	standard
4.00372	0.0160221	standard
4.47082	0.0131579	standard
4.48893	0.74897	standard
4.49321	0.538593	standard
4.49561	1.0	standard
4.49784	0.530916	standard
4.50211	0.693034	standard
4.5204	0.0125819	standard
6.88117	0.229403	standard
6.88311	0.230222	standard
6.89167	0.287204	standard
6.89313	0.430639	standard
6.89496	0.333839	standard
6.90348	0.291669	standard
6.90542	0.290916	standard
6.98507	0.57718	standard
6.98685	0.58531	standard
6.99692	0.459175	standard
6.99875	0.453726	standard
7.46181	0.25678	standard
7.46364	0.25772	standard
7.47239	0.340873	standard
7.47345	0.426959	standard
7.47388	0.424496	standard
7.475	0.346423	standard
7.48382	0.26715	standard
7.48566	0.265909	standard
7.87214	0.521347	standard
7.87408	0.523799	standard
7.88364	0.501432	standard
7.88568	0.49907	standard
3.9625	0.00800851	standard
3.9664	0.0107939	standard
3.96845	0.0160931	standard
3.97926	0.851415	standard
3.98352	0.467899	standard
3.98539	0.910089	standard
3.98752	0.453023	standard
3.99165	0.929301	standard
4.00002	0.0152035	standard
4.00253	0.0160175	standard
4.47251	0.012434	standard
4.48937	0.771737	standard
4.49331	0.533468	standard
4.49561	1.00001	standard
4.49771	0.544082	standard
4.50156	0.674227	standard
4.50192	0.668573	standard
4.51872	0.0125939	standard
6.88196	0.230899	standard
6.8838	0.231783	standard
6.89187	0.291543	standard
6.89324	0.44412	standard
6.89486	0.335197	standard
6.90278	0.286851	standard
6.90473	0.285928	standard
6.98551	0.57902	standard
6.98715	0.583616	standard
6.99652	0.462533	standard
6.99826	0.4576	standard
7.4626	0.259605	standard
7.46423	0.260826	standard
7.47243	0.333652	standard
7.47385	0.437065	standard
7.47488	0.352915	standard
7.48313	0.265745	standard
7.48487	0.264456	standard
7.87253	0.519777	standard
7.87438	0.520927	standard
7.88334	0.505904	standard
7.88519	0.504719	standard
3.96399	0.00801856	standard
3.96759	0.0106983	standard
3.96954	0.0160053	standard
3.97965	0.837824	standard
3.98375	0.460391	standard
3.98544	0.936159	standard
3.98743	0.464453	standard
3.99135	0.921434	standard
3.99913	0.0152121	standard
4.00144	0.0160652	standard
4.4739	0.012367	standard
4.48977	0.749792	standard
4.49351	0.53129	standard
4.49561	1.00001	standard
4.4975	0.5431	standard
4.5013	0.691828	standard
4.51723	0.0125529	standard
6.88275	0.23125	standard
6.8845	0.232216	standard
6.89196	0.292917	standard
6.89322	0.434152	standard
6.89476	0.333187	standard
6.90229	0.285584	standard
6.90404	0.284702	standard
6.98581	0.566407	standard
6.98745	0.570658	standard
6.99622	0.468639	standard
6.99776	0.464291	standard
7.46329	0.260606	standard
7.46483	0.261829	standard
7.47253	0.33622	standard
7.47357	0.425028	standard
7.47395	0.428011	standard
7.47474	0.355622	standard
7.48253	0.26318	standard
7.48417	0.26188	standard
7.87293	0.512733	standard
7.87468	0.515528	standard
7.88304	0.507232	standard
7.88479	0.504431	standard
3.96637	0.00811655	standard
3.96957	0.0103576	standard
3.97133	0.0163407	standard
3.97324	0.0147865	standard
3.98029	0.870166	standard
3.98395	0.468118	standard
3.98544	0.924677	standard
3.98719	0.449041	standard
3.99065	0.910298	standard
3.99967	0.0161794	standard
4.00132	0.0103692	standard
4.47638	0.012424	standard
4.49041	0.709415	standard
4.49371	0.522587	standard
4.49561	1.00001	standard
4.49731	0.53657	standard
4.50051	0.66326	standard
4.5009	0.657249	standard
4.51485	0.012547	standard
6.88394	0.234249	standard
6.88549	0.235257	standard
6.89226	0.302828	standard
6.89327	0.422871	standard
6.89466	0.337031	standard
6.90139	0.282899	standard
6.90295	0.281919	standard
6.9864	0.562489	standard
6.98785	0.566046	standard
6.99562	0.470363	standard
6.99707	0.466616	standard
7.46448	0.262043	standard
7.46582	0.263256	standard
7.47352	0.436158	standard
7.47475	0.338778	standard
7.48154	0.262769	standard
7.48299	0.261456	standard
7.87362	0.513076	standard
7.87517	0.514226	standard
7.88254	0.508647	standard
7.8841	0.507483	standard
3.96736	0.00813138	standard
3.97047	0.0104153	standard
3.97212	0.0165517	standard
3.97393	0.0148759	standard
3.98059	0.863156	standard
3.9839	0.476744	standard
3.98545	0.914912	standard
3.98707	0.442492	standard
3.99041	0.931908	standard
3.99898	0.0159643	standard
4.00053	0.0103322	standard
4.47737	0.012421	standard
4.49061	0.748315	standard
4.49381	0.518244	standard
4.49561	1.00001	standard
4.49721	0.533104	standard
4.50039	0.691065	standard
4.51386	0.0125319	standard
6.88453	0.235741	standard
6.88599	0.236785	standard
6.89235	0.298214	standard
6.8934	0.436786	standard
6.89467	0.331973	standard
6.901	0.282004	standard
6.90245	0.280979	standard
6.9867	0.561459	standard
6.98805	0.564728	standard
6.99542	0.473829	standard
6.99678	0.470384	standard
7.46498	0.263086	standard
7.46622	0.264266	standard
7.47347	0.435356	standard
7.47384	0.429084	standard
7.47463	0.348206	standard
7.48114	0.263278	standard
7.48249	0.261995	standard
7.87381	0.508357	standard
7.87537	0.509568	standard
7.88235	0.509467	standard
7.8838	0.508322	standard
3.96825	0.00817948	standard
3.97116	0.0104205	standard
3.97272	0.0164566	standard
3.97453	0.014938	standard
3.98079	0.855521	standard
3.98402	0.472633	standard
3.98545	0.909366	standard
3.98694	0.438542	standard
3.99016	0.903126	standard
3.99828	0.0160222	standard
3.99973	0.0103758	standard
4.47826	0.012416	standard
4.49091	0.73434	standard
4.49385	0.535212	standard
4.49562	1.00002	standard
4.49711	0.531137	standard
4.50021	0.733328	standard
4.51287	0.012564	standard
6.88493	0.234961	standard
6.88639	0.236109	standard
6.89233	0.292045	standard
6.8934	0.428565	standard
6.89456	0.33637	standard
6.9006	0.281788	standard
6.90196	0.280759	standard
6.98689	0.558221	standard
6.9882	0.555193	standard
6.99523	0.478226	standard
6.99648	0.47506	standard
7.46537	0.261864	standard
7.46662	0.263105	standard
7.47281	0.339939	standard
7.47373	0.442203	standard
7.47465	0.340739	standard
7.48084	0.264406	standard
7.48209	0.263168	standard
7.87411	0.513008	standard
7.87547	0.516167	standard
7.88214	0.50797	standard
7.88361	0.504714	standard
3.96984	0.00822343	standard
3.97255	0.0105277	standard
3.97391	0.0164152	standard
3.97552	0.0148179	standard
3.98129	0.839557	standard
3.9841	0.48789	standard
3.98545	0.892115	standard
3.98687	0.446456	standard
3.98971	0.927997	standard
3.99709	0.0160427	standard
3.99845	0.010281	standard
4.47985	0.012415	standard
4.49133	0.701919	standard
4.49405	0.532542	standard
4.49561	1.00002	standard
4.49697	0.549896	standard
4.49959	0.64946	standard
4.49995	0.644674	standard
4.51128	0.01254	standard
6.88582	0.238221	standard
6.88708	0.239348	standard
6.89252	0.295705	standard
6.89349	0.444253	standard
6.89458	0.326558	standard
6.9	0.278376	standard
6.90126	0.277254	standard
6.98739	0.565626	standard
6.98844	0.568157	standard
6.99493	0.48815	standard
6.99598	0.485485	standard
7.46616	0.260761	standard
7.46732	0.262049	standard
7.47292	0.344642	standard
7.47362	0.429307	standard
7.47385	0.429307	standard
7.47455	0.344641	standard
7.48015	0.262049	standard
7.4813	0.260761	standard
7.87451	0.510168	standard
7.87577	0.511276	standard
7.88185	0.511276	standard
7.88311	0.510167	standard
3.97232	0.00842963	standard
3.97452	0.0105595	standard
3.97569	0.0163541	standard
3.9771	0.0149703	standard
3.98193	0.876418	standard
3.98432	0.459043	standard
3.9855	0.927506	standard
3.98667	0.45828	standard
3.98912	0.924268	standard
3.99531	0.0162061	standard
3.99647	0.0102696	standard
4.48223	0.01244	standard
4.49196	0.721879	standard
4.49424	0.52147	standard
4.49561	1.00002	standard
4.49678	0.540696	standard
4.49899	0.654906	standard
4.49926	0.650628	standard
4.5089	0.012542	standard
6.88701	0.241645	standard
6.88808	0.242837	standard
6.89273	0.307127	standard
6.89347	0.427099	standard
6.89438	0.330914	standard
6.89901	0.275965	standard
6.90008	0.274772	standard
6.98798	0.553112	standard
6.98894	0.555277	standard
6.99433	0.488356	standard
6.99529	0.486065	standard
7.46735	0.262221	standard
7.46831	0.263492	standard
7.47351	0.423154	standard
7.47395	0.423153	standard
7.47915	0.263492	standard
7.48011	0.262221	standard
7.8752	0.511478	standard
7.87627	0.512574	standard
7.88145	0.512574	standard
7.88252	0.511478	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-Hydroxyethyl-salicylate

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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