2-{[(2E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-2-propenoyl]amino}benzoic acid

SpectraBase Compound ID	ISCBI6QKT6Y
InChI	InChI=1S/C19H15ClN2O5/c1-26-16-9-11(8-14(20)17(16)27-2)7-12(10-21)18(23)22-15-6-4-3-5-13(15)19(24)25/h3-9H,1-2H3,(H,22,23)(H,24,25)/b12-7+
InChIKey	IXUNVUXUGUEWBQ-KPKJPENVSA-N Google Search
Mol Weight	386.79 g/mol
Molecular Formula	C19H15ClN2O5
Exact Mass	386.066949 g/mol

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SpectraBase Spectrum ID	FxQdf3HFBSA
Name	2-{[(2E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-2-propenoyl]amino}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/C19H15ClN2O5/c1-26-16-9-11(8-14(20)17(16)27-2)7-12(10-21)18(23)22-15-6-4-3-5-13(15)19(24)25/h3-9H,1-2H3,(H,22,23)(H,24,25)/b12-7+
InChIKey	IXUNVUXUGUEWBQ-KPKJPENVSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_12303
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: 1002186; UBI_ID: UBI-012306
Synonyms	2-{[3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-2-propenoyl]amino}benzoic acid
Temperature	315 °C