3-thiophenecarboxylic acid, 4-(4-chlorophenyl)-2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-, ethyl ester

SpectraBase Compound ID	7hEMhkoFfb6
InChI	InChI=1S/C22H22ClNO4S/c1-4-28-21(27)19-16(13-5-7-14(23)8-6-13)12-29-20(19)24-11-15-17(25)9-22(2,3)10-18(15)26/h5-8,11-12,24H,4,9-10H2,1-3H3
InChIKey	DOKPPMBEAFKPII-UHFFFAOYSA-N Google Search
Mol Weight	431.93 g/mol
Molecular Formula	C22H22ClNO4S
Exact Mass	431.095807 g/mol

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SpectraBase Spectrum ID	Gw8C3GojV2b
Name	3-thiophenecarboxylic acid, 4-(4-chlorophenyl)-2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-, 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/C22H22ClNO4S/c1-4-28-21(27)19-16(13-5-7-14(23)8-6-13)12-29-20(19)24-11-15-17(25)9-22(2,3)10-18(15)26/h5-8,11-12,24H,4,9-10H2,1-3H3
InChIKey	DOKPPMBEAFKPII-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_4203
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/11308681