4-{(Z)-[(2E)-3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

SpectraBase Compound ID	CLBWTIang9K
InChI	InChI=1S/C23H22N2O3S/c26-21-20(15-16-11-13-17(14-12-16)22(27)28)29-23(24-18-7-3-1-4-8-18)25(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,27,28)/b20-15-,24-23+
InChIKey	JAULBKNWXFXQCL-BRNMAAFJSA-N Google Search
Mol Weight	406.5 g/mol
Molecular Formula	C23H22N2O3S
Exact Mass	406.135114 g/mol

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SpectraBase Spectrum ID	6Ury7sJ2HEa
Name	4-{(Z)-[(2E)-3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
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/C23H22N2O3S/c26-21-20(15-16-11-13-17(14-12-16)22(27)28)29-23(24-18-7-3-1-4-8-18)25(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,27,28)/b20-15-,24-23+
InChIKey	JAULBKNWXFXQCL-BRNMAAFJSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5133
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: 9682405; UBI_ID: UBI-005135
Synonyms	4-{[3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Temperature	308 °C