4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, ethyl ester

SpectraBase Compound ID	BJvE9KKu0Ke
InChI	InChI=1S/C20H22N2O5S/c1-3-27-20(24)17-14-7-5-4-6-8-16(14)28-19(17)21-18(23)13-9-10-15(22(25)26)12(2)11-13/h9-11H,3-8H2,1-2H3,(H,21,23)
InChIKey	ALVNBXLDTISVCJ-UHFFFAOYSA-N Google Search
Mol Weight	402.47 g/mol
Molecular Formula	C20H22N2O5S
Exact Mass	402.124943 g/mol

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SpectraBase Spectrum ID	6ivlt5Q06Hc
Name	ethyl 2-[(3-methyl-4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H22N2O5S/c1-3-27-20(24)17-14-7-5-4-6-8-16(14)28-19(17)21-18(23)13-9-10-15(22(25)26)12(2)11-13/h9-11H,3-8H2,1-2H3,(H,21,23)
InChIKey	ALVNBXLDTISVCJ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_465
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/8267909; Labnumber: ZIU/0022677