Methyl 4-methoxythiophene-3-carboxylate

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.02357
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C7H8O3S/c1-9-6-4-11-3-5(6)7(8)10-2/h3-4H,1-2H3
	Note 1	12,13,14?15,16,17
	Note 2	18?19

Sample description:

Compound	Type	Concentration
Methyl 4-methoxythiophene-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

	12	13	14	15	16	17	18	19
12	3.888	-14.0	-14.0	0	0	0	0	0
13	0	3.888	-14.0	0	0	0	0	0
14	0	0	3.888	0	0	0	0	0
15	0	0	0	3.847	-14.0	-14.0	0	0
16	0	0	0	0	3.847	-14.0	0	0
17	0	0	0	0	0	3.847	0	0
18	0	0	0	0	0	0	8.225	2.892
19	0	0	0	0	0	0	0	6.648

Spectra

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

PPM	Amplitude	Peak Type
3.84703	0.999562	standard
3.8876	1.0	standard
6.64603	0.183746	standard
6.65078	0.184007	standard
8.2222	0.184639	standard
8.22684	0.184218	standard
3.8509	0.999659	standard
3.88374	1.0	standard
6.61227	0.138974	standard
6.68287	0.146221	standard
8.19002	0.146295	standard
8.26061	0.138899	standard
3.84793	0.999905	standard
3.8867	1.0	standard
6.62453	0.159477	standard
6.6716	0.162126	standard
8.20137	0.162014	standard
8.24844	0.159729	standard
3.84735	0.99907	standard
3.88729	1.0	standard
6.63053	0.169331	standard
6.66578	0.169449	standard
8.2071	0.169585	standard
8.24235	0.169454	standard
3.84723	1.0	standard
3.8874	0.999178	standard
6.63256	0.172258	standard
6.66394	0.17215	standard
8.20903	0.172459	standard
8.24041	0.171828	standard
3.84717	0.999654	standard
3.88747	1.00001	standard
6.63411	0.174169	standard
6.66239	0.17444	standard
8.21058	0.174106	standard
8.23876	0.174508	standard
3.84704	1.0	standard
3.88759	0.999397	standard
6.64128	0.181504	standard
6.65542	0.181854	standard
8.21755	0.181936	standard
8.23159	0.181783	standard
3.84704	1.0	standard
3.8876	0.999915	standard
6.64371	0.182913	standard
6.6531	0.18341	standard
8.21988	0.183354	standard
8.22927	0.182985	standard
3.84703	1.0	standard
3.8876	0.998699	standard
6.64487	0.183641	standard
6.65194	0.183395	standard
8.22104	0.183524	standard
8.22811	0.182985	standard
3.84703	0.999467	standard
3.8876	1.0	standard
6.64555	0.18406	standard
6.65116	0.184215	standard
8.22172	0.184277	standard
8.22733	0.184379	standard
3.84703	1.0	standard
3.8876	0.999501	standard
6.64603	0.183851	standard
6.65078	0.183381	standard
8.2222	0.183997	standard
8.22684	0.184272	standard
3.84703	0.999873	standard
3.8876	1.0	standard
6.64632	0.183787	standard
6.65039	0.183925	standard
8.22249	0.18369	standard
8.22656	0.183747	standard
3.84703	1.0	standard
3.8876	0.999612	standard
6.64651	0.184034	standard
6.65029	0.184219	standard
8.22268	0.184024	standard
8.22646	0.184349	standard
3.84703	0.99986	standard
3.8876	1.0	standard
6.64661	0.184479	standard
6.65009	0.184111	standard
8.22278	0.184941	standard
8.22626	0.184307	standard
3.84703	1.0	standard
3.8876	0.999732	standard
6.64681	0.184848	standard
6.6499	0.184631	standard
8.22298	0.18492	standard
8.22607	0.184714	standard
3.84703	1.0	standard
3.8876	0.998991	standard
6.6469	0.183753	standard
6.6499	0.183487	standard
8.22307	0.184686	standard
8.22597	0.184563	standard
3.84703	1.0	standard
3.8876	0.99955	standard
6.647	0.184657	standard
6.64981	0.184341	standard
8.22317	0.184434	standard
8.22598	0.184211	standard
3.84703	1.0	standard
3.8876	0.99986	standard
6.64729	0.184674	standard
6.64942	0.184928	standard
8.22346	0.184647	standard
8.22559	0.184699	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Methyl 4-methoxythiophene-3-carboxylate

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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