{4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2-methoxyphenoxy}acetic acid

SpectraBase Compound ID	KlKXge6gYzF
InChI	InChI=1S/C20H18N2O5/c1-13-4-3-5-16(8-13)22-20(25)15(11-21)9-14-6-7-17(18(10-14)26-2)27-12-19(23)24/h3-10H,12H2,1-2H3,(H,22,25)(H,23,24)/b15-9+
InChIKey	UOGNEBFJGKVWPP-OQLLNIDSSA-N Google Search
Mol Weight	366.37 g/mol
Molecular Formula	C20H18N2O5
Exact Mass	366.121572 g/mol

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SpectraBase Spectrum ID	eNQRTEa5gp
Name	{4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2-methoxyphenoxy}acetic 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/C20H18N2O5/c1-13-4-3-5-16(8-13)22-20(25)15(11-21)9-14-6-7-17(18(10-14)26-2)27-12-19(23)24/h3-10H,12H2,1-2H3,(H,22,25)(H,23,24)/b15-9+
InChIKey	UOGNEBFJGKVWPP-OQLLNIDSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11831
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: 1003457; UBI_ID: UBI-011834
Synonyms	{4-[2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2-methoxyphenoxy}acetic acid
Temperature	318 °C