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

SpectraBase Compound ID	36v54GphC1N
InChI	InChI=1S/C20H17BrN2O5/c1-12-5-3-4-6-16(12)23-20(26)14(10-22)7-13-8-17(27-2)18(9-15(13)21)28-11-19(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+
InChIKey	XDCAUDAQNHTCQS-VGOFMYFVSA-N Google Search
Mol Weight	445.27 g/mol
Molecular Formula	C20H17BrN2O5
Exact Mass	444.032085 g/mol

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SpectraBase Spectrum ID	4H1OTpxwOpC
Name	{5-bromo-4-[(1E)-2-cyano-3-oxo-3-(2-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/C20H17BrN2O5/c1-12-5-3-4-6-16(12)23-20(26)14(10-22)7-13-8-17(27-2)18(9-15(13)21)28-11-19(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+
InChIKey	XDCAUDAQNHTCQS-VGOFMYFVSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11837
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: 1003364; UBI_ID: UBI-011840
Synonyms	{5-bromo-4-[2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2-methoxyphenoxy}acetic acid
Temperature	318 °C