3-[(4Z)-4-(5-bromo-3-iodo-2-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

SpectraBase Compound ID	JAhb19DKUcV
InChI	InChI=1S/C19H14BrIN2O4/c1-10-15(8-12-6-13(20)9-16(21)17(12)27-2)18(24)23(22-10)14-5-3-4-11(7-14)19(25)26/h3-9H,1-2H3,(H,25,26)/b15-8-
InChIKey	WDPCBFRIGNQMIW-NVNXTCNLSA-N Google Search
Mol Weight	541.14 g/mol
Molecular Formula	C19H14BrIN2O4
Exact Mass	539.918165 g/mol

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SpectraBase Spectrum ID	BoatOyOyAtQ
Name	3-[(4Z)-4-(5-bromo-3-iodo-2-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]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/C19H14BrIN2O4/c1-10-15(8-12-6-13(20)9-16(21)17(12)27-2)18(24)23(22-10)14-5-3-4-11(7-14)19(25)26/h3-9H,1-2H3,(H,25,26)/b15-8-
InChIKey	WDPCBFRIGNQMIW-NVNXTCNLSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17335
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/9051461; UBI_ID: UBI-017338
Synonyms	3-[4-(5-bromo-3-iodo-2-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature	308 °C