3-thiophenecarboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4-(4-methylphenyl)-, ethyl ester

SpectraBase Compound ID	C6qw7TbAi9O
InChI	InChI=1S/C22H25NO5S/c1-3-28-22(27)18-17(14-10-8-13(2)9-11-14)12-29-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-12,15-16H,3-7H2,1-2H3,(H,23,24)(H,25,26)
InChIKey	ANRGOALEWVPWRX-UHFFFAOYSA-N Google Search
Mol Weight	415.5 g/mol
Molecular Formula	C22H25NO5S
Exact Mass	415.145344 g/mol

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SpectraBase Spectrum ID	1m6KF9QYm65
Name	3-thiophenecarboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4-(4-methylphenyl)-, ethyl ester
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/C22H25NO5S/c1-3-28-22(27)18-17(14-10-8-13(2)9-11-14)12-29-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-12,15-16H,3-7H2,1-2H3,(H,23,24)(H,25,26)
InChIKey	ANRGOALEWVPWRX-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_3600
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/10228469