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

SpectraBase Compound ID	4MWuymd1LMR
InChI	InChI=1S/C20H17BrN2O5/c1-3-28-17-9-12(8-16(21)18(17)24)7-15-11(2)22-23(19(15)25)14-6-4-5-13(10-14)20(26)27/h4-10,24H,3H2,1-2H3,(H,26,27)/b15-7+
InChIKey	JEDRPHWYZUKTTP-VIZOYTHASA-N Google Search
Mol Weight	445.27 g/mol
Molecular Formula	C20H17BrN2O5
Exact Mass	444.032085 g/mol

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SpectraBase Spectrum ID	4WOHGuKjcZZ
Name	3-[(4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-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/C20H17BrN2O5/c1-3-28-17-9-12(8-16(21)18(17)24)7-15-11(2)22-23(19(15)25)14-6-4-5-13(10-14)20(26)27/h4-10,24H,3H2,1-2H3,(H,26,27)/b15-7+
InChIKey	JEDRPHWYZUKTTP-VIZOYTHASA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_5057
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/8061782; Labnumber: BMW-100804A; UZI_ID: UZI-005059
Synonyms	3-[4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature	308 °C