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

SpectraBase Compound ID	3Slbcv7NSxQ
InChI	InChI=1S/C21H18IN3O7/c1-3-31-18-10-13(9-17(22)20(18)32-11-19(26)27)8-16-12(2)23-24(21(16)28)14-4-6-15(7-5-14)25(29)30/h4-10H,3,11H2,1-2H3,(H,26,27)/b16-8-
InChIKey	KFDWUUAFMGLWFF-PXNMLYILSA-N Google Search
Mol Weight	551.29 g/mol
Molecular Formula	C21H18IN3O7
Exact Mass	551.018945 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	FENN1UukYFB
Name	(2-ethoxy-6-iodo-4-{(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)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/C21H18IN3O7/c1-3-31-18-10-13(9-17(22)20(18)32-11-19(26)27)8-16-12(2)23-24(21(16)28)14-4-6-15(7-5-14)25(29)30/h4-10H,3,11H2,1-2H3,(H,26,27)/b16-8-
InChIKey	KFDWUUAFMGLWFF-PXNMLYILSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16909
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/8193311; UBI_ID: UBI-016912
Synonyms	(2-ethoxy-6-iodo-4-{[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid
Temperature	308 °C