(4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxy-6-iodophenoxy)acetic acid

SpectraBase Compound ID	hAnorp10RD
InChI	InChI=1S/C21H18ClIN2O5/c1-3-29-18-10-13(9-16(23)20(18)30-11-19(26)27)8-14-12(2)24-25(21(14)28)17-7-5-4-6-15(17)22/h4-10H,3,11H2,1-2H3,(H,26,27)/b14-8-
InChIKey	CAYGDSFZWXIHPY-ZSOIEALJSA-N Google Search
Mol Weight	540.74 g/mol
Molecular Formula	C21H18ClIN2O5
Exact Mass	539.994894 g/mol

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SpectraBase Spectrum ID	FLjx6osW4tx
Name	(4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxy-6-iodophenoxy)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/C21H18ClIN2O5/c1-3-29-18-10-13(9-16(23)20(18)30-11-19(26)27)8-14-12(2)24-25(21(14)28)17-7-5-4-6-15(17)22/h4-10H,3,11H2,1-2H3,(H,26,27)/b14-8-
InChIKey	CAYGDSFZWXIHPY-ZSOIEALJSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13116
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/9056952; UBI_ID: UBI-013119
Synonyms	(4-{[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxy-6-iodophenoxy)acetic acid
Temperature	318 °C