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

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

2-(Benzenesulfinyl)-2-triphenylphosphoranylidene-acetic acid ethyl ester
SpectraBase Compound ID LEPP6pxHv8i
InChI InChI=1S/C28H25O3PS/c1-2-31-27(29)28(33(30)26-21-13-6-14-22-26)32(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-5-12-20-25/h3-22H,2H2,1H3
InChIKey XODVSYOYBDMOPK-UHFFFAOYSA-N
Mol Weight 472.54 g/mol
Molecular Formula C28H25O3PS
Exact Mass 472.126203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26aIupegcZu
Name 2-(Benzenesulfinyl)-2-triphenylphosphoranylidene-acetic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.126202834 u
Formula C28H25O3PS
InChI InChI=1S/C28H25O3PS/c1-2-31-27(29)28(33(30)26-21-13-6-14-22-26)32(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-5-12-20-25/h3-22H,2H2,1H3
InChIKey XODVSYOYBDMOPK-UHFFFAOYSA-N
Molecular Weight 472.539 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)(S(=O)C1=CC=CC=C1)C(=O)OCC