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3-({(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic acid
SpectraBase Compound ID GsOQyaH3f70
InChI InChI=1S/C19H16IN3O3/c1-11-3-4-13(19(25)26)9-17(11)21-10-16-12(2)22-23(18(16)24)15-7-5-14(20)6-8-15/h3-10,21H,1-2H3,(H,25,26)/b16-10-
InChIKey NETCQCUCXYPROI-YBEGLDIGSA-N
Mol Weight 461.26 g/mol
Molecular Formula C19H16IN3O3
Exact Mass 461.023636 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Di8tjt4PnVQ
Name 3-({(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic 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/C19H16IN3O3/c1-11-3-4-13(19(25)26)9-17(11)21-10-16-12(2)22-23(18(16)24)15-7-5-14(20)6-8-15/h3-10,21H,1-2H3,(H,25,26)/b16-10-
InChIKey NETCQCUCXYPROI-YBEGLDIGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5108
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/9336663; Labnumber: BMW-163390T; UZI_ID: UZI-005110
Synonyms 3-({[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic acid
Temperature 308 °C