{2-chloro-4-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-6-methoxyphenoxy}acetic acid

SpectraBase Compound ID	65Li4mBFjzH
InChI	InChI=1S/C20H17ClN2O5/c1-12-5-3-4-6-16(12)23-20(26)14(10-22)7-13-8-15(21)19(17(9-13)27-2)28-11-18(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+
InChIKey	KUBMOQDLLWNHQZ-VGOFMYFVSA-N Google Search
Mol Weight	400.82 g/mol
Molecular Formula	C20H17ClN2O5
Exact Mass	400.082599 g/mol

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SpectraBase Spectrum ID	LphCR5b9wQw
Name	{2-chloro-4-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-6-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/C20H17ClN2O5/c1-12-5-3-4-6-16(12)23-20(26)14(10-22)7-13-8-15(21)19(17(9-13)27-2)28-11-18(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+
InChIKey	KUBMOQDLLWNHQZ-VGOFMYFVSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2768
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/1010443; Labnumber: ARF3675; UZI_ID: UZI-002770
Synonyms	{2-chloro-4-[2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-6-methoxyphenoxy}acetic acid
Temperature	315 °C