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(4E)-4-(4-chlorobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(4E)-4-(4-chlorobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID L3Ax7Lqqic0
InChI InChI=1S/C17H13ClN2O/c1-12-16(11-13-7-9-14(18)10-8-13)17(21)20(19-12)15-5-3-2-4-6-15/h2-11H,1H3/b16-11+
InChIKey BGJYICFWALJLBY-LFIBNONCSA-N
Mol Weight 296.76 g/mol
Molecular Formula C17H13ClN2O
Exact Mass 296.071641 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 50eAr8GnkJY
Name (4E)-4-(4-chlorobenzylidene)-5-methyl-2-phenyl-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/C17H13ClN2O/c1-12-16(11-13-7-9-14(18)10-8-13)17(21)20(19-12)15-5-3-2-4-6-15/h2-11H,1H3/b16-11+
InChIKey BGJYICFWALJLBY-LFIBNONCSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3160
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: NMR/8253106; Labnumber: KWN-jw29; IOH_ID: IOH-003161
Synonyms 4-(4-chlorobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 303 °C