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

SpectraBase Compound ID	9CAkLuATxpR
InChI	InChI=1S/C21H18BrN3O6/c1-11-15(20(27)25(24-11)14-5-3-13(4-6-14)21(28)29)7-12-8-16(22)19(17(9-12)30-2)31-10-18(23)26/h3-9H,10H2,1-2H3,(H2,23,26)(H,28,29)/b15-7-
InChIKey	YEWZGMDPRHBUAT-CHHVJCJISA-N Google Search
Mol Weight	488.29 g/mol
Molecular Formula	C21H18BrN3O6
Exact Mass	487.037898 g/mol

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SpectraBase Spectrum ID	6YD8HdjrsXP
Name	4-{(4Z)-4-[4-(2-amino-2-oxoethoxy)-3-bromo-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/C21H18BrN3O6/c1-11-15(20(27)25(24-11)14-5-3-13(4-6-14)21(28)29)7-12-8-16(22)19(17(9-12)30-2)31-10-18(23)26/h3-9H,10H2,1-2H3,(H2,23,26)(H,28,29)/b15-7-
InChIKey	YEWZGMDPRHBUAT-CHHVJCJISA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7448
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/8197744; UBI_ID: UBI-007451
Synonyms	4-{4-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature	308 °C