4-{5-[(1E)-3-(4-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-2-chlorobenzoic acid

SpectraBase Compound ID	HqvbHabG5OZ
InChI	InChI=1S/C21H12BrClN2O4/c22-14-2-4-15(5-3-14)25-20(26)13(11-24)9-16-6-8-19(29-16)12-1-7-17(21(27)28)18(23)10-12/h1-10H,(H,25,26)(H,27,28)/b13-9+
InChIKey	AUMBGSOKKXRNCS-UKTHLTGXSA-N Google Search
Mol Weight	471.69 g/mol
Molecular Formula	C21H12BrClN2O4
Exact Mass	469.966898 g/mol

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SpectraBase Spectrum ID	IYX2UpxSzQI
Name	4-{5-[(1E)-3-(4-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-2-chlorobenzoic 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/C21H12BrClN2O4/c22-14-2-4-15(5-3-14)25-20(26)13(11-24)9-16-6-8-19(29-16)12-1-7-17(21(27)28)18(23)10-12/h1-10H,(H,25,26)(H,27,28)/b13-9+
InChIKey	AUMBGSOKKXRNCS-UKTHLTGXSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2772
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/1011354; Labnumber: ARF3680; UZI_ID: UZI-002774
Synonyms	4-{5-[3-(4-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-2-chlorobenzoic acid
Temperature	315 °C