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2-(Benzenesulfinyl)-2-triphenylphosphoranylidene-acetic acid methyl ester

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

2-(Benzenesulfinyl)-2-triphenylphosphoranylidene-acetic acid methyl ester
SpectraBase Compound ID I9YV8woEvH3
InChI InChI=1S/C27H23O3PS/c1-30-26(28)27(32(29)25-20-12-5-13-21-25)31(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-4-11-19-24/h2-21H,1H3
InChIKey NDKZICZAJRRFNY-UHFFFAOYSA-N
Mol Weight 458.51 g/mol
Molecular Formula C27H23O3PS
Exact Mass 458.110553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EY0V45PI37i
Name 2-(Benzenesulfinyl)-2-triphenylphosphoranylidene-acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.110552770 u
Formula C27H23O3PS
InChI InChI=1S/C27H23O3PS/c1-30-26(28)27(32(29)25-20-12-5-13-21-25)31(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-4-11-19-24/h2-21H,1H3
InChIKey NDKZICZAJRRFNY-UHFFFAOYSA-N
Molecular Weight 458.512 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)(S(=O)C=1C=CC=CC1)C(=O)OC