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ALPHA-ETHOXYCARBONYL-ALPHA-2-METHYLSULFONYL-BENZOYLMETHYLENE-TRIPHENYLPHOSPHORANE
SpectraBase Compound ID 4zLiY7E7E2S
InChI InChI=1S/C30H27O3PS/c1-3-33-30(32)29(28(31)26-21-13-14-22-27(26)35-2)34(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-22H,3H2,1-2H3
InChIKey PKPYTTXQJMTGMD-UHFFFAOYSA-N
Mol Weight 498.58 g/mol
Molecular Formula C30H27O3PS
Exact Mass 498.141853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HX0ysoWLwNE
Name (.alpha.-Ethoxycarbonyl-.alpha.-2-methylsulfanylbenzoylmethylene)triphenylphosphorane
Alternate Name(s) Ethyl 3-[2-(methylsulfanyl)phenyl]-3-oxo-2-(triphenylphosphoranylidene)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H27O3PS
InChI InChI=1S/C30H27O3PS/c1-3-33-30(32)29(28(31)26-21-13-14-22-27(26)35-2)34(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-22H,3H2,1-2H3
InChIKey PKPYTTXQJMTGMD-UHFFFAOYSA-N
Molecular Weight 498.577 g/mol
SMILES C(C(c1c(SC)cccc1)=O)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-001i-0140900000-9e6009203055422ed06a
Source of Spectrum KC-0-1730-1
Wiley ID 781437