(5-bromo-4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid

SpectraBase Compound ID	1Wfdw19hGcC
InChI	InChI=1S/C21H18BrClN2O5/c1-3-29-18-9-13(15(22)10-19(18)30-11-20(26)27)8-14-12(2)24-25(21(14)28)17-7-5-4-6-16(17)23/h4-10H,3,11H2,1-2H3,(H,26,27)/b14-8-
InChIKey	DALYITIKOFITFF-ZSOIEALJSA-N Google Search
Mol Weight	493.74 g/mol
Molecular Formula	C21H18BrClN2O5
Exact Mass	492.008762 g/mol

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SpectraBase Spectrum ID	5G5A3p5FIsk
Name	(5-bromo-4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetic 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/C21H18BrClN2O5/c1-3-29-18-9-13(15(22)10-19(18)30-11-20(26)27)8-14-12(2)24-25(21(14)28)17-7-5-4-6-16(17)23/h4-10H,3,11H2,1-2H3,(H,26,27)/b14-8-
InChIKey	DALYITIKOFITFF-ZSOIEALJSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16777
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/8180797; UBI_ID: UBI-016780
Synonyms	(5-bromo-4-{[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Temperature	308 °C