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2-Ethylsulfinyl-2-triphenylphosphoranylidene-acetic acid benzyl ester

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

2-Ethylsulfinyl-2-triphenylphosphoranylidene-acetic acid benzyl ester
SpectraBase Compound ID C7qdOdNWasL
InChI InChI=1S/C29H27O3PS/c1-2-34(31)29(28(30)32-23-24-15-7-3-8-16-24)33(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKey WPLVOUQYQLWCMB-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 IntYZ5orroA
Name 2-Ethylsulfinyl-2-triphenylphosphoranylidene-acetic acid benzyl 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/c1-2-34(31)29(28(30)32-23-24-15-7-3-8-16-24)33(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKey WPLVOUQYQLWCMB-UHFFFAOYSA-N
Molecular Weight 486.566 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)(C(OCC=1C=CC=CC1)=O)S(=O)CC