Methyl 2-aminothiophene-3-carboxylate

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.01383
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3
	Note 1	14?15

Sample description:

Compound	Type	Concentration
Methyl 2-aminothiophene-3-carboxylate	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
11	3.818	-14.0	-14.0	0	0
12	0	3.818	-14.0	0	0
13	0	0	3.818	0	0
14	0	0	0	6.401	6.067
15	0	0	0	0	6.999

Spectra

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

PPM	Amplitude	Peak Type
3.81817	1.0	standard
6.39573	0.171065	standard
6.40584	0.170925	standard
6.99383	0.171065	standard
7.00393	0.170926	standard
3.81817	1.0	standard
6.31576	0.131374	standard
6.46718	0.211727	standard
6.93257	0.211688	standard
7.084	0.131557	standard
3.81817	1.0	standard
6.34613	0.144093	standard
6.44715	0.198462	standard
6.95261	0.19846	standard
7.05353	0.14413	standard
3.81817	1.0	standard
6.36058	0.150794	standard
6.43635	0.191664	standard
6.96341	0.191657	standard
7.03908	0.150807	standard
3.81817	1.0	standard
6.36534	0.152977	standard
6.43258	0.189331	standard
6.96708	0.189366	standard
7.03443	0.152999	standard
3.81817	1.0	standard
6.369	0.154732	standard
6.42961	0.186588	standard
6.97005	0.187542	standard
7.03066	0.154269	standard
3.81817	1.0	standard
6.38533	0.162989	standard
6.41564	0.179116	standard
6.98412	0.179273	standard
7.01443	0.161145	standard
3.81817	1.0	standard
6.39058	0.167463	standard
6.41079	0.174797	standard
6.98897	0.174705	standard
7.00908	0.167524	standard
3.81817	1.0	standard
6.39316	0.169394	standard
6.40831	0.172824	standard
6.99135	0.172824	standard
7.0065	0.169394	standard
3.81817	1.0	standard
6.39474	0.170283	standard
6.40683	0.171927	standard
6.99284	0.171855	standard
7.00502	0.170214	standard
3.81817	1.0	standard
6.39573	0.171052	standard
6.40584	0.170953	standard
6.99383	0.171064	standard
7.00393	0.170984	standard
3.81817	1.0	standard
6.39653	0.171119	standard
6.40514	0.17116	standard
6.99452	0.17106	standard
7.00324	0.171043	standard
3.81817	1.0	standard
6.39682	0.171108	standard
6.40484	0.170019	standard
6.99482	0.171003	standard
7.00294	0.169903	standard
3.81817	1.0	standard
6.39702	0.171013	standard
6.40465	0.170995	standard
6.99511	0.170639	standard
7.00264	0.171029	standard
3.81817	1.0	standard
6.39752	0.171051	standard
6.40425	0.170169	standard
6.99551	0.170616	standard
7.00225	0.17019	standard
3.81817	1.0	standard
6.39761	0.170996	standard
6.40405	0.170934	standard
6.99571	0.171127	standard
7.00205	0.171093	standard
3.81817	1.0	standard
6.39781	0.17081	standard
6.40385	0.170803	standard
6.99581	0.170998	standard
7.00185	0.1705	standard
3.81817	1.0	standard
6.39851	0.171088	standard
6.40316	0.171088	standard
6.9965	0.171048	standard
7.00116	0.171087	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Methyl 2-aminothiophene-3-carboxylate

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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