5-{3-[(1E)-3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic acid

SpectraBase Compound ID	5OklPe4PNOy
InChI	InChI=1S/C23H17BrClN3O3/c1-13-8-15(9-16(12-26)22(29)27-18-5-3-4-17(24)10-18)14(2)28(13)19-6-7-21(25)20(11-19)23(30)31/h3-11H,1-2H3,(H,27,29)(H,30,31)/b16-9+
InChIKey	VHYSDWPYIMZRIV-CXUHLZMHSA-N Google Search
Mol Weight	498.76 g/mol
Molecular Formula	C23H17BrClN3O3
Exact Mass	497.014182 g/mol

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SpectraBase Spectrum ID	Jhjf6GedyWi
Name	5-{3-[(1E)-3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-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/C23H17BrClN3O3/c1-13-8-15(9-16(12-26)22(29)27-18-5-3-4-17(24)10-18)14(2)28(13)19-6-7-21(25)20(11-19)23(30)31/h3-11H,1-2H3,(H,27,29)(H,30,31)/b16-9+
InChIKey	VHYSDWPYIMZRIV-CXUHLZMHSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_1476
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: C96310; Labnumber: SPDEM2-1989; SBI_ID: SBI-001478
Synonyms	5-{3-[3-(3-bromoanilino)-2-cyano-3-oxo-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic acid
Temperature	318 °C