3-({4-[(1E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]phenoxy}methyl)benzoic acid

SpectraBase Compound ID	KlOSWXb93jM
InChI	InChI=1S/C24H17ClN2O4/c25-20-6-8-21(9-7-20)27-23(28)19(14-26)12-16-4-10-22(11-5-16)31-15-17-2-1-3-18(13-17)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
InChIKey	KAUAYUWDZUSYOH-XDHOZWIPSA-N Google Search
Mol Weight	432.86 g/mol
Molecular Formula	C24H17ClN2O4
Exact Mass	432.087685 g/mol

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SpectraBase Spectrum ID	IMRp2aV3oX0
Name	3-({4-[(1E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]phenoxy}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/C24H17ClN2O4/c25-20-6-8-21(9-7-20)27-23(28)19(14-26)12-16-4-10-22(11-5-16)31-15-17-2-1-3-18(13-17)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
InChIKey	KAUAYUWDZUSYOH-XDHOZWIPSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UZI_26187_2779
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/1010971; Labnumber: ARF3734; UZI_ID: UZI-002781
Synonyms	3-({4-[3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]phenoxy}methyl)benzoic acid
Temperature	300 °C