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2-(4-Methylphenyl)sulfinyl-2-triphenylphosphoranylideneacetic acid ethyl ester

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

2-(4-Methylphenyl)sulfinyl-2-triphenylphosphoranylideneacetic acid ethyl ester
SpectraBase Compound ID ELyuV3CZCWS
InChI InChI=1S/C29H27O3PS/c1-3-32-28(30)29(34(31)27-21-19-23(2)20-22-27)33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22H,3H2,1-2H3
InChIKey WIQGAYREGSPBCC-UHFFFAOYSA-N
Mol Weight 486.57 g/mol
Molecular Formula C29H27O3PS
Exact Mass 486.141853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqFQMWdb3Ys
Name 2-(4-Methylphenyl)sulfinyl-2-triphenylphosphoranylideneacetic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.141852898 u
Formula C29H27O3PS
InChI InChI=1S/C29H27O3PS/c1-3-32-28(30)29(34(31)27-21-19-23(2)20-22-27)33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22H,3H2,1-2H3
InChIKey WIQGAYREGSPBCC-UHFFFAOYSA-N
Molecular Weight 486.566 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)(S(C=1C=CC(=CC1)C)=O)C(=O)OCC