N-{[5-(2-furyl)thien-2-yl]methyl}-N-methylamine

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.01486
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C10H11NOS/c1-11-7-8-4-5-10(13-8)9-3-2-6-12-9/h2-6,11H,7H2,1H3
	Note 1	19?20
	Note 2	18?21

Sample description:

Compound	Type	Concentration
N-{[5-(2-furyl)thien-2-yl]methyl}-N-methylamine	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

	14	15	16	17	18	19	20	21	22	23
14	2.741	-14.0	-14.0	0	0	0	0	0	0	0
15	0	2.741	-14.0	0	0	0	0	0	0	0
16	0	0	2.741	0	0	0	0	0	0	0
17	0	0	0	6.576	3.466	0	0	1.927	0	0
18	0	0	0	0	6.739	0	0	0	0	0
19	0	0	0	0	0	7.231	4.041	0	0	0
20	0	0	0	0	0	0	7.303	0	0	0
21	0	0	0	0	0	0	0	7.557	0	0
22	0	0	0	0	0	0	0	0	4.435	-14.0
23	0	0	0	0	0	0	0	0	0	4.435

Spectra

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

PPM	Amplitude	Peak Type
2.74101	1.0	standard
4.43511	0.666644	standard
6.572	0.10744	standard
6.57526	0.129826	standard
6.57751	0.135013	standard
6.58058	0.11518	standard
6.73597	0.185138	standard
6.74165	0.174229	standard
7.22753	0.161944	standard
7.23423	0.191012	standard
7.30032	0.191016	standard
7.30702	0.161948	standard
7.55519	0.204195	standard
7.55802	0.204194	standard
2.74101	1.0	standard
4.43511	0.666879	standard
6.50488	0.0751941	standard
6.58815	0.172125	standard
6.62973	0.191169	standard
6.70616	0.273529	standard
6.7911	0.114984	standard
7.16189	0.0654761	standard
7.26731	0.501129	standard
7.37415	0.0695921	standard
7.53709	0.219617	standard
7.57639	0.206715	standard
2.74101	1.0	standard
4.43511	0.666677	standard
6.52978	0.0840591	standard
6.58504	0.15665	standard
6.61385	0.155316	standard
6.71498	0.238192	standard
6.77186	0.13163	standard
7.18589	0.0795044	standard
7.2532	0.349422	standard
7.28135	0.34959	standard
7.34872	0.080684	standard
7.54292	0.211915	standard
7.57053	0.20398	standard
2.74101	1.0	standard
4.43511	0.666333	standard
6.54198	0.0894426	standard
6.58328	0.149888	standard
6.60551	0.142087	standard
6.72006	0.222631	standard
6.76274	0.142047	standard
7.19864	0.093214	standard
7.24867	0.293953	standard
7.28589	0.294077	standard
7.33593	0.0937371	standard
7.54611	0.208946	standard
7.56723	0.202931	standard
2.74101	1.0	standard
4.43511	0.665837	standard
6.54606	0.0914894	standard
6.58267	0.147855	standard
6.60255	0.138143	standard
6.72184	0.217543	standard
6.7599	0.145658	standard
7.2028	0.099128	standard
7.24731	0.27863	standard
7.28735	0.278751	standard
7.33176	0.099582	standard
7.54722	0.208081	standard
7.56606	0.202711	standard
2.74101	1.0	standard
4.43511	0.664082	standard
6.54914	0.0942725	standard
6.58209	0.14651	standard
6.60004	0.133586	standard
6.72337	0.213514	standard
6.75753	0.148792	standard
7.20604	0.104569	standard
7.24603	0.267276	standard
7.28853	0.267366	standard
7.32851	0.104856	standard
7.54819	0.204796	standard
7.5652	0.204064	standard
2.74101	1.0	standard
4.43511	0.666663	standard
6.56308	0.102276	standard
6.57282	0.125924	standard
6.57947	0.139656	standard
6.5887	0.121723	standard
6.73061	0.196143	standard
6.74771	0.163771	standard
7.21969	0.135719	standard
7.23967	0.220825	standard
7.29488	0.220854	standard
7.31486	0.135772	standard
7.55234	0.203757	standard
7.56097	0.203744	standard
2.74101	1.0	standard
4.43511	0.66642	standard
6.56758	0.104947	standard
6.57403	0.127844	standard
6.57851	0.137062	standard
6.58474	0.117958	standard
6.73322	0.190556	standard
6.74463	0.168782	standard
7.2237	0.148268	standard
7.23709	0.205848	standard
7.29746	0.205863	standard
7.31085	0.14829	standard
7.55376	0.203277	standard
7.55955	0.203273	standard
2.74101	1.0	standard
4.43511	0.666268	standard
6.56984	0.106435	standard
6.57472	0.130048	standard
6.57792	0.136765	standard
6.58267	0.116178	standard
6.73459	0.187863	standard
6.74312	0.171531	standard
7.22566	0.154977	standard
7.23571	0.198393	standard
7.29884	0.198402	standard
7.30889	0.154988	standard
7.55446	0.202899	standard
7.55884	0.202898	standard
2.74101	1.0	standard
4.43511	0.665987	standard
6.57116	0.107405	standard
6.57501	0.129872	standard
6.57767	0.135389	standard
6.58144	0.115224	standard
6.73538	0.186039	standard
6.74224	0.172949	standard
7.22684	0.159236	standard
7.23482	0.194023	standard
7.29973	0.193831	standard
7.30781	0.158993	standard
7.55492	0.203159	standard
7.55839	0.203158	standard
2.74101	1.0	standard
4.43511	0.664547	standard
6.572	0.107305	standard
6.57526	0.129664	standard
6.57751	0.134845	standard
6.58058	0.115037	standard
6.73597	0.184906	standard
6.74165	0.174011	standard
7.22753	0.16174	standard
7.23423	0.190772	standard
7.30032	0.190776	standard
7.30702	0.161745	standard
7.55519	0.203939	standard
7.55802	0.203938	standard
2.74101	1.0	standard
4.43511	0.66653	standard
6.57267	0.108342	standard
6.57543	0.130826	standard
6.57731	0.134741	standard
6.58002	0.113924	standard
6.73636	0.184203	standard
6.74126	0.174842	standard
7.22802	0.163708	standard
7.23383	0.18868	standard
7.30082	0.188967	standard
7.30653	0.164048	standard
7.55535	0.202899	standard
7.55785	0.202899	standard
2.74101	1.0	standard
4.43511	0.666667	standard
6.57298	0.110229	standard
6.57538	0.131047	standard
6.57723	0.134093	standard
6.57974	0.113881	standard
6.73646	0.183739	standard
6.74106	0.174989	standard
7.22822	0.164556	standard
7.23364	0.187869	standard
7.30092	0.187871	standard
7.30633	0.164559	standard
7.55544	0.20323	standard
7.55776	0.20323	standard
2.74101	1.0	standard
4.43511	0.665987	standard
6.57315	0.10924	standard
6.57547	0.129918	standard
6.57725	0.133508	standard
6.57954	0.114159	standard
6.73665	0.183962	standard
6.74087	0.175794	standard
7.22841	0.165412	standard
7.23344	0.187236	standard
7.30111	0.187238	standard
7.30614	0.165415	standard
7.55554	0.204117	standard
7.55766	0.204117	standard
2.74101	1.0	standard
4.43511	0.665891	standard
6.57353	0.11009	standard
6.57555	0.130059	standard
6.57716	0.133311	standard
6.57916	0.11448	standard
6.73685	0.183016	standard
6.74067	0.175731	standard
7.22871	0.166309	standard
7.23324	0.185747	standard
7.30141	0.186122	standard
7.30584	0.166734	standard
7.55562	0.202192	standard
7.55759	0.202191	standard
2.74101	1.0	standard
4.43511	0.66504	standard
6.5736	0.108313	standard
6.57569	0.131298	standard
6.57703	0.134105	standard
6.57909	0.112406	standard
6.73695	0.182697	standard
6.74057	0.175796	standard
7.22891	0.167443	standard
7.23304	0.185771	standard
7.30151	0.185361	standard
7.30574	0.166981	standard
7.55572	0.204664	standard
7.55748	0.204664	standard
2.74101	1.0	standard
4.43511	0.666666	standard
6.57381	0.110244	standard
6.57564	0.130655	standard
6.57706	0.133541	standard
6.57888	0.114191	standard
6.73705	0.182801	standard
6.74048	0.176244	standard
7.22901	0.168006	standard
7.23294	0.185443	standard
7.30161	0.185444	standard
7.30555	0.168008	standard
7.5557	0.201673	standard
7.5575	0.201673	standard
2.74101	1.0	standard
4.43511	0.66608	standard
6.57437	0.111202	standard
6.57583	0.132302	standard
6.57686	0.132302	standard
6.57832	0.111202	standard
6.73744	0.179386	standard
6.74008	0.179386	standard
7.2295	0.169781	standard
7.23255	0.183208	standard
7.302	0.182658	standard
7.30515	0.169181	standard
7.55599	0.203104	standard
7.55732	0.203104	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

N-{[5-(2-furyl)thien-2-yl]methyl}-N-methylamine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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