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(4Z)-2-(2-chlorophenyl)-4-(4-hydroxy-3-iodo-5-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 1QGKx8LXOBn
InChI InChI=1S/C18H14ClIN2O3/c1-10-12(7-11-8-14(20)17(23)16(9-11)25-2)18(24)22(21-10)15-6-4-3-5-13(15)19/h3-9,23H,1-2H3/b12-7-
InChIKey VDLVSCYSOXYKDL-GHXNOFRVSA-N
Mol Weight 468.68 g/mol
Molecular Formula C18H14ClIN2O3
Exact Mass 467.973765 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CEx4DYfCyV4
Name (4Z)-2-(2-chlorophenyl)-4-(4-hydroxy-3-iodo-5-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
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/C18H14ClIN2O3/c1-10-12(7-11-8-14(20)17(23)16(9-11)25-2)18(24)22(21-10)15-6-4-3-5-13(15)19/h3-9,23H,1-2H3/b12-7-
InChIKey VDLVSCYSOXYKDL-GHXNOFRVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13107
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/9051469; UBI_ID: UBI-013110
Synonyms 2-(2-chlorophenyl)-4-(4-hydroxy-3-iodo-5-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C