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

SpectraBase Compound ID	8wkRJgPlJ6Q
InChI	InChI=1S/C27H24N2O5/c1-3-33-25-15-20(14-22(16-28)26(30)29-23-6-4-5-18(2)13-23)9-12-24(25)34-17-19-7-10-21(11-8-19)27(31)32/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)/b22-14+
InChIKey	WWXJADOSLKFBBV-HYARGMPZSA-N Google Search
Mol Weight	456.5 g/mol
Molecular Formula	C27H24N2O5
Exact Mass	456.168522 g/mol

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SpectraBase Spectrum ID	CttfgJbaRxa
Name	4-({4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2-ethoxyphenoxy}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/C27H24N2O5/c1-3-33-25-15-20(14-22(16-28)26(30)29-23-6-4-5-18(2)13-23)9-12-24(25)34-17-19-7-10-21(11-8-19)27(31)32/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)/b22-14+
InChIKey	WWXJADOSLKFBBV-HYARGMPZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11828
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: 1003183; UBI_ID: UBI-011831
Synonyms	4-({4-[2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2-ethoxyphenoxy}methyl)benzoic acid
Temperature	318 °C