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

SpectraBase Compound ID	6vkZcKk520T
InChI	InChI=1S/C21H13BrN2O4/c22-16-5-2-6-17(11-16)24-20(25)15(12-23)10-18-7-8-19(28-18)13-3-1-4-14(9-13)21(26)27/h1-11H,(H,24,25)(H,26,27)/b15-10+
InChIKey	ZMCKRMWNHDPLSY-XNTDXEJSSA-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	7OmzkU3bExA
Name	3-{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/c22-16-5-2-6-17(11-16)24-20(25)15(12-23)10-18-7-8-19(28-18)13-3-1-4-14(9-13)21(26)27/h1-11H,(H,24,25)(H,26,27)/b15-10+
InChIKey	ZMCKRMWNHDPLSY-XNTDXEJSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11846
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: 1002891; UBI_ID: UBI-011849
Synonyms	3-{5-[3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature	318 °C