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

SpectraBase Compound ID	FHStPlPw3iV
InChI	InChI=1S/C19H15BrN2O5/c1-10-14(7-11-8-15(20)17(23)16(9-11)27-2)18(24)22(21-10)13-5-3-12(4-6-13)19(25)26/h3-9,23H,1-2H3,(H,25,26)/b14-7+
InChIKey	IODFBRODLWJLAK-VGOFMYFVSA-N Google Search
Mol Weight	431.24 g/mol
Molecular Formula	C19H15BrN2O5
Exact Mass	430.016435 g/mol

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SpectraBase Spectrum ID	8GcEUUgDPVy
Name	4-[(4E)-4-(3-bromo-4-hydroxy-5-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/C19H15BrN2O5/c1-10-14(7-11-8-15(20)17(23)16(9-11)27-2)18(24)22(21-10)13-5-3-12(4-6-13)19(25)26/h3-9,23H,1-2H3,(H,25,26)/b14-7+
InChIKey	IODFBRODLWJLAK-VGOFMYFVSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16465
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/8120949; UBI_ID: UBI-016468
Synonyms	4-[4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature	313 °C