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

SpectraBase Compound ID	8qP2ThsaLZw
InChI	InChI=1S/C19H15BrN2O4/c1-12-3-2-4-15(7-12)22-19(25)14(10-21)8-13-5-6-17(16(20)9-13)26-11-18(23)24/h2-9H,11H2,1H3,(H,22,25)(H,23,24)/b14-8+
InChIKey	QJEOMLSWNIRHAT-RIYZIHGNSA-N Google Search
Mol Weight	415.24 g/mol
Molecular Formula	C19H15BrN2O4
Exact Mass	414.02152 g/mol

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SpectraBase Spectrum ID	AIjWYhjESpy
Name	{2-bromo-4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]phenoxy}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/C19H15BrN2O4/c1-12-3-2-4-15(7-12)22-19(25)14(10-21)8-13-5-6-17(16(20)9-13)26-11-18(23)24/h2-9H,11H2,1H3,(H,22,25)(H,23,24)/b14-8+
InChIKey	QJEOMLSWNIRHAT-RIYZIHGNSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11827
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: 1003080; UBI_ID: UBI-011830
Synonyms	{2-bromo-4-[2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]phenoxy}acetic acid
Temperature	318 °C