3-thiophenecarboxylic acid, 4-(4-bromophenyl)-2-[[(2-carboxycyclohexyl)carbonyl]amino]-, methyl ester

SpectraBase Compound ID	LBagCxVC68m
InChI	InChI=1S/C20H20BrNO5S/c1-27-20(26)16-15(11-6-8-12(21)9-7-11)10-28-18(16)22-17(23)13-4-2-3-5-14(13)19(24)25/h6-10,13-14H,2-5H2,1H3,(H,22,23)(H,24,25)
InChIKey	SREUXJMFLPMDPL-UHFFFAOYSA-N Google Search
Mol Weight	466.35 g/mol
Molecular Formula	C20H20BrNO5S
Exact Mass	465.024557 g/mol

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SpectraBase Spectrum ID	3OhkW5Cg6JX
Name	3-thiophenecarboxylic acid, 4-(4-bromophenyl)-2-[[(2-carboxycyclohexyl)carbonyl]amino]-, methyl 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/C20H20BrNO5S/c1-27-20(26)16-15(11-6-8-12(21)9-7-11)10-28-18(16)22-17(23)13-4-2-3-5-14(13)19(24)25/h6-10,13-14H,2-5H2,1H3,(H,22,23)(H,24,25)
InChIKey	SREUXJMFLPMDPL-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_3601
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/10228470