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1-(2-Methylsulfanylbenzoyl)hexylidene(triphenyl)phosphorane
SpectraBase Compound ID B0HOPtXPus0
InChI InChI=1S/C32H33OPS/c1-3-4-8-24-30(32(33)29-23-15-16-25-31(29)35-2)34(26-17-9-5-10-18-26,27-19-11-6-12-20-27)28-21-13-7-14-22-28/h5-7,9-23,25H,3-4,8,24H2,1-2H3
InChIKey WCTRIIBMLLAAFM-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C32H33OPS
Exact Mass 496.198974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID w0oOZhPzpu
Name 1-(2-Methylsulfanylbenzoyl)hexylidene(triphenyl)phosphorane
Alternate Name(s) 1-[2-(methylsulfanyl)phenyl]-2-(triphenylphosphoranylidene)-1-heptanone
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Formula C32H33OPS
InChI InChI=1S/C32H33OPS/c1-3-4-8-24-30(32(33)29-23-15-16-25-31(29)35-2)34(26-17-9-5-10-18-26,27-19-11-6-12-20-27)28-21-13-7-14-22-28/h5-7,9-23,25H,3-4,8,24H2,1-2H3
InChIKey WCTRIIBMLLAAFM-UHFFFAOYSA-N
Molecular Weight 496.649 g/mol
SMILES C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(c1c(SC)cccc1)=O)CCCCC
SPLASH splash10-001i-0110900000-65645eb63c44bbde01dd
Source of Spectrum KC-0-2459-12
Wiley ID 782078