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2-(4-Chlorophenyl)sulfinyl-2-triphenylphosphoranylidene-acetic acid benzyl ester
SpectraBase Compound ID 8PkoJmTZBmu
InChI InChI=1S/C33H26ClO3PS/c34-27-21-23-31(24-22-27)39(36)33(32(35)37-25-26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25H2
InChIKey LWBSOAIRTSLHNR-UHFFFAOYSA-N
Mol Weight 569.1 g/mol
Molecular Formula C33H26ClO3PS
Exact Mass 568.102881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJ7ZSPkrNA5
Name 2-(4-Chlorophenyl)sulfinyl-2-triphenylphosphoranylidene-acetic acid benzyl ester
Alternate Name(s) 2-(4-Chlorophenyl)sulfinyl-2-triphenylphosphoranylideneacetic acid (phenylmethyl) ester benzyl 2-(4-chlorophenyl)sulfinyl-2-(triphenyl-$l^{5}-phosphanylidene)acetate
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Formula C33H26ClO3PS
InChI InChI=1S/C33H26ClO3PS/c34-27-21-23-31(24-22-27)39(36)33(32(35)37-25-26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25H2
InChIKey LWBSOAIRTSLHNR-UHFFFAOYSA-N
Molecular Weight 569.055 g/mol
SMILES C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)(S(c1ccc(cc1)Cl)=O)C(OCc1ccccc1)=O
SPLASH splash10-06r6-7972020000-a383f542983025b5c99c
Source of Spectrum KC-0-599-9
Wiley ID 827593