2-{5-[(1E)-3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid

SpectraBase Compound ID	Bkr7RxqF3it
InChI	InChI=1S/C21H13BrN2O4/c22-14-4-3-5-15(11-14)24-20(25)13(12-23)10-16-8-9-19(28-16)17-6-1-2-7-18(17)21(26)27/h1-11H,(H,24,25)(H,26,27)/b13-10+
InChIKey	MSMGBUUHYQRDHR-JLHYYAGUSA-N Google Search
Mol Weight	437.25 g/mol
Molecular Formula	C21H13BrN2O4
Exact Mass	436.00587 g/mol

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SpectraBase Spectrum ID	2q2Y0lQKBiR
Name	2-{5-[(1E)-3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}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/C21H13BrN2O4/c22-14-4-3-5-15(11-14)24-20(25)13(12-23)10-16-8-9-19(28-16)17-6-1-2-7-18(17)21(26)27/h1-11H,(H,24,25)(H,26,27)/b13-10+
InChIKey	MSMGBUUHYQRDHR-JLHYYAGUSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11847
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: 9679236; UBI_ID: UBI-011850
Synonyms	2-{5-[3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature	318 °C