4-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid

SpectraBase Compound ID	DT49eNgcLyc
InChI	InChI=1S/C18H14IN3O3/c1-11-16(10-20-14-6-2-12(3-7-14)18(24)25)17(23)22(21-11)15-8-4-13(19)5-9-15/h2-10,20H,1H3,(H,24,25)/b16-10+
InChIKey	HLIIFWLUUZOPLN-MHWRWJLKSA-N Google Search
Mol Weight	447.23 g/mol
Molecular Formula	C18H14IN3O3
Exact Mass	447.007986 g/mol

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SpectraBase Spectrum ID	89bjD4Mp8p
Name	4-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)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/C18H14IN3O3/c1-11-16(10-20-14-6-2-12(3-7-14)18(24)25)17(23)22(21-11)15-8-4-13(19)5-9-15/h2-10,20H,1H3,(H,24,25)/b16-10+
InChIKey	HLIIFWLUUZOPLN-MHWRWJLKSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_5105
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/9341412; Labnumber: BMW-162710T; UZI_ID: UZI-005107
Synonyms	4-({[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Temperature	308 °C