2-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}phenyl 4-methylbenzenesulfonate

SpectraBase Compound ID	KKSSeZy9MiX
InChI	InChI=1S/C24H16ClF3N2O4S/c1-15-6-9-19(10-7-15)35(32,33)34-22-5-3-2-4-16(22)12-17(14-29)23(31)30-21-13-18(24(26,27)28)8-11-20(21)25/h2-13H,1H3,(H,30,31)/b17-12+
InChIKey	KDGCQNWWMCLRKY-SFQUDFHCSA-N Google Search
Mol Weight	520.91 g/mol
Molecular Formula	C24H16ClF3N2O4S
Exact Mass	520.04714 g/mol

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SpectraBase Spectrum ID	14Vtoj3fjgQ
Name	2-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}phenyl 4-methylbenzenesulfonate
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/C24H16ClF3N2O4S/c1-15-6-9-19(10-7-15)35(32,33)34-22-5-3-2-4-16(22)12-17(14-29)23(31)30-21-13-18(24(26,27)28)8-11-20(21)25/h2-13H,1H3,(H,30,31)/b17-12+
InChIKey	KDGCQNWWMCLRKY-SFQUDFHCSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2678
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: UZI/1009104; Labnumber: ARF3023; UZI_ID: UZI-002680
Synonyms	2-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}phenyl 4-methylbenzenesulfonate
Temperature	308 °C