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[4-Chlorophenylsulfinyl-(phenyl)-methylene]-triphenylphosphorane

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

[4-Chlorophenylsulfinyl-(phenyl)-methylene]-triphenylphosphorane
SpectraBase Compound ID C6uiAzQwqjh
InChI InChI=1S/C31H24ClOPS/c32-26-21-23-30(24-22-26)35(33)31(25-13-5-1-6-14-25)34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H
InChIKey YUAUQVIUYAEULS-UHFFFAOYSA-N
Mol Weight 511.02 g/mol
Molecular Formula C31H24ClOPS
Exact Mass 510.097401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmZE6chBGrN
Name [4-Chlorophenylsulfinyl-(phenyl)-methylene]-triphenylphosphorane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.097401264 u
Formula C31H24ClOPS
InChI InChI=1S/C31H24ClOPS/c32-26-21-23-30(24-22-26)35(33)31(25-13-5-1-6-14-25)34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H
InChIKey YUAUQVIUYAEULS-UHFFFAOYSA-N
Molecular Weight 511.019 g/mol
SMILES C=1(P(C2=CC=CC=C2)(C2=CC=CC=C2)=C(C2=CC=CC=C2)S(=O)C2=CC=C(Cl)C=C2)C=CC=CC1