1,2,3,4-Tetrahydroisoquinoline hydrochloride

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.02537
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
	Note 1	11?12
	Note 2	13?14
	Note 3	15,16?17,18

Sample description:

Compound	Type	Concentration
1,2,3,4-Tetrahydroisoquinoline hydrochloride	Solute	75uM
DSS	Reference	15uM
bis-Tris-d19	Buffer	11mM
NaCl	.	150mM
NaN3	.	0.04%.
Na Formate	.	200uM

Show/Hide Spin System Matrix

Spin System Matrix

	11	12	13	14	15	16	17	18	19	20
11	7.342	6.81	6.55	0	0	0	0	0	0	0
12	0	7.297	1.5	7.29	0	0	0	0	0	0
13	0	0	7.336	0.5	0	0	0	0	0	0
14	0	0	0	7.232	0	0	0	0	0	0
15	0	0	0	0	3.128	-14.0	6.754	6.754	0	0
16	0	0	0	0	0	3.128	6.754	6.754	0	0
17	0	0	0	0	0	0	3.528	-14.0	0	0
18	0	0	0	0	0	0	0	3.528	0	0
19	0	0	0	0	0	0	0	0	4.38	-14.0
20	0	0	0	0	0	0	0	0	0	4.38

Spectra

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

PPM	Amplitude	Peak Type
3.11708	0.282024	standard
3.12818	0.536486	standard
3.13925	0.306974	standard
3.51732	0.306807	standard
3.52842	0.535881	standard
3.53955	0.282246	standard
4.37996	1.0	standard
7.2248	0.402042	standard
7.23731	0.543484	standard
7.25683	0.011828	standard
7.28373	0.362023	standard
7.29647	0.664319	standard
7.30946	0.421344	standard
7.32186	0.325421	standard
7.33051	0.430209	standard
7.34271	0.32847	standard
7.35373	0.135942	standard
3.12739	0.158459	standard
3.25147	0.194247	standard
3.40531	0.19442	standard
3.52929	0.159351	standard
4.37994	0.3541	standard
7.29552	1.0	standard
3.02423	0.0801601	standard
3.12401	0.203423	standard
3.22037	0.201471	standard
3.4362	0.201653	standard
3.53256	0.203781	standard
3.63264	0.0807011	standard
4.37996	0.462826	standard
7.30029	1.0	standard
3.04372	0.105101	standard
3.12342	0.253938	standard
3.2013	0.216575	standard
3.45533	0.216925	standard
3.53316	0.254023	standard
3.613	0.105427	standard
4.37996	0.550288	standard
7.30297	1.0	standard
3.05181	0.117287	standard
3.12367	0.276933	standard
3.19428	0.223499	standard
3.46231	0.223641	standard
3.53291	0.277266	standard
3.60477	0.117594	standard
4.37996	0.586064	standard
7.17111	0.0603952	standard
7.20917	0.112235	standard
7.27017	0.549165	standard
7.30353	1.00001	standard
3.059	0.128883	standard
3.12408	0.298261	standard
3.18854	0.22983	standard
3.46809	0.230205	standard
3.5325	0.298453	standard
3.59758	0.129133	standard
4.37996	0.618175	standard
7.17806	0.0684115	standard
7.2151	0.125573	standard
7.269	0.503548	standard
7.30384	1.0	standard
7.3342	0.426413	standard
7.39865	0.0526461	standard
3.09389	0.222106	standard
3.12698	0.46425	standard
3.16018	0.295175	standard
3.49644	0.295619	standard
3.52962	0.463879	standard
3.56274	0.222419	standard
4.37996	0.888084	standard
7.20819	0.163938	standard
7.24517	0.404687	standard
7.26009	0.242724	standard
7.28417	0.341905	standard
7.30419	1.00001	standard
7.31893	0.578874	standard
7.331	0.551094	standard
7.3605	0.121788	standard
7.38324	0.0497613	standard
3.10557	0.264447	standard
3.12773	0.53113	standard
3.14989	0.319747	standard
3.50669	0.31969	standard
3.52887	0.530776	standard
3.55106	0.264739	standard
4.37996	1.0	standard
7.21743	0.268817	standard
7.24183	0.486039	standard
7.2579	0.0815135	standard
7.274	0.228223	standard
7.28959	0.308922	standard
7.30084	0.659318	standard
7.3066	0.594054	standard
7.3279	0.660399	standard
7.3492	0.211831	standard
7.36883	0.0811619	standard
3.11136	0.272238	standard
3.12797	0.533673	standard
3.14465	0.313057	standard
3.51193	0.31305	standard
3.52861	0.533483	standard
3.54526	0.271664	standard
4.37996	1.0	standard
7.22127	0.331944	standard
7.23964	0.515319	standard
7.25675	0.0363921	standard
7.27943	0.284047	standard
7.29838	0.623772	standard
7.30833	0.465035	standard
7.32699	0.672907	standard
7.34543	0.273249	standard
7.36128	0.103273	standard
3.11478	0.276006	standard
3.12811	0.535145	standard
3.14146	0.309268	standard
3.51517	0.30904	standard
3.52849	0.53494	standard
3.5418	0.276176	standard
4.37996	1.0	standard
7.22341	0.376019	standard
7.23826	0.541149	standard
7.2566	0.0196186	standard
7.28212	0.328871	standard
7.29697	0.781671	standard
7.30909	0.437369	standard
7.32378	0.36536	standard
7.32915	0.473985	standard
7.34368	0.309349	standard
7.35669	0.121881	standard
3.11708	0.282141	standard
3.12818	0.536333	standard
3.13925	0.307102	standard
3.51732	0.306963	standard
3.52842	0.536086	standard
3.53955	0.282389	standard
4.37996	1.0	standard
7.2248	0.402113	standard
7.23731	0.543582	standard
7.25683	0.0118309	standard
7.28373	0.362087	standard
7.29647	0.664442	standard
7.30946	0.421422	standard
7.32186	0.325482	standard
7.33051	0.43029	standard
7.34271	0.32853	standard
7.35373	0.135965	standard
3.11869	0.283622	standard
3.12821	0.536208	standard
3.13773	0.301664	standard
3.51885	0.301668	standard
3.52837	0.536213	standard
3.53789	0.283627	standard
4.37996	1.0	standard
7.22577	0.416629	standard
7.2366	0.542845	standard
7.28483	0.382423	standard
7.29577	0.605659	standard
7.30027	0.276561	standard
7.30968	0.410217	standard
7.32045	0.310089	standard
7.33166	0.402204	standard
7.3421	0.33946	standard
7.35166	0.148821	standard
3.11932	0.284316	standard
3.12823	0.536413	standard
3.13715	0.300799	standard
3.51953	0.301655	standard
3.52835	0.536819	standard
3.53725	0.284378	standard
4.37996	1.0	standard
7.22616	0.420825	standard
7.2363	0.543665	standard
7.28528	0.390917	standard
7.29548	0.593763	standard
7.30107	0.257044	standard
7.30979	0.407429	standard
7.31982	0.305538	standard
7.3321	0.392125	standard
7.34191	0.342471	standard
7.35087	0.153835	standard
3.11991	0.285092	standard
3.12823	0.53656	standard
3.13656	0.30054	standard
3.52002	0.30055	standard
3.52835	0.536647	standard
3.53667	0.285103	standard
4.37996	1.0	standard
7.22651	0.427439	standard
7.23606	0.541785	standard
7.28565	0.398631	standard
7.29523	0.588462	standard
7.30169	0.247362	standard
7.30989	0.401796	standard
7.31932	0.299235	standard
7.3325	0.381537	standard
7.34172	0.345421	standard
7.35013	0.159271	standard
3.12084	0.290472	standard
3.12826	0.536616	standard
3.13567	0.294666	standard
3.52095	0.295338	standard
3.52835	0.536495	standard
3.53574	0.290756	standard
4.37996	1.0	standard
7.22708	0.435106	standard
7.23563	0.534167	standard
7.28625	0.406277	standard
7.29478	0.576739	standard
7.30269	0.238273	standard
7.31005	0.400286	standard
7.31844	0.295278	standard
7.33324	0.366663	standard
7.34144	0.349312	standard
7.34894	0.167303	standard
3.12123	0.290343	standard
3.12828	0.537076	standard
3.13528	0.29474	standard
3.52135	0.295488	standard
3.52832	0.5368	standard
3.53535	0.290633	standard
4.37996	1.0	standard
7.22733	0.437588	standard
7.23539	0.534862	standard
7.2865	0.41287	standard
7.2946	0.572934	standard
7.30314	0.237609	standard
7.3101	0.398692	standard
7.31805	0.291734	standard
7.33354	0.359375	standard
7.34133	0.350349	standard
7.34845	0.170736	standard
3.12162	0.290929	standard
3.12828	0.537094	standard
3.13494	0.295053	standard
3.52164	0.295037	standard
3.5283	0.537072	standard
3.53501	0.289902	standard
4.37996	1.0	standard
7.22755	0.441426	standard
7.23526	0.530291	standard
7.28677	0.417775	standard
7.29448	0.565702	standard
7.30354	0.236627	standard
7.31009	0.392244	standard
7.3177	0.290556	standard
7.33384	0.352853	standard
7.34124	0.35048	standard
7.34805	0.173858	standard
3.12319	0.293281	standard
3.12828	0.537126	standard
3.13342	0.29286	standard
3.52321	0.293284	standard
3.5283	0.537127	standard
3.53344	0.292861	standard
4.37996	1.0	standard
7.2285	0.454946	standard
7.23444	0.525927	standard
7.28776	0.430434	standard
7.29371	0.545243	standard
7.30522	0.233865	standard
7.31034	0.383717	standard
7.31617	0.278993	standard
7.33517	0.329358	standard
7.34086	0.361617	standard
7.34617	0.189485	standard

View GSD Peaks

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Simulation: simulation_1

External links:

1,2,3,4-Tetrahydroisoquinoline hydrochloride

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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