2-[((2E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-2-propenoyl)amino]benzoic acid

SpectraBase Compound ID	2ZrNcxqsEva
InChI	InChI=1S/C25H19FN2O5/c1-32-23-13-17(8-11-22(23)33-15-16-6-9-19(26)10-7-16)12-18(14-27)24(29)28-21-5-3-2-4-20(21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b18-12+
InChIKey	XJNSVGSKERYPTN-LDADJPATSA-N Google Search
Mol Weight	446.43 g/mol
Molecular Formula	C25H19FN2O5
Exact Mass	446.1278 g/mol

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SpectraBase Spectrum ID	9LHFfxwOiL6
Name	2-[((2E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-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/C25H19FN2O5/c1-32-23-13-17(8-11-22(23)33-15-16-6-9-19(26)10-7-16)12-18(14-27)24(29)28-21-5-3-2-4-20(21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b18-12+
InChIKey	XJNSVGSKERYPTN-LDADJPATSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5195
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: 9554696; UBI_ID: UBI-005197
Synonyms	2-[(2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-2-propenoyl)amino]benzoic acid
Temperature	308 °C