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1-(2-Methylsulfanylbenzoyl)pentylidene(triphenyl)phosphorane
SpectraBase Compound ID 8OpjtKUNh3f
InChI InChI=1S/C31H31OPS/c1-3-4-23-29(31(32)28-22-14-15-24-30(28)34-2)33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-22,24H,3-4,23H2,1-2H3
InChIKey QIAULNFLOQLXNO-UHFFFAOYSA-N
Mol Weight 482.62 g/mol
Molecular Formula C31H31OPS
Exact Mass 482.183324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UKiyH0OJjs
Name 1-(2-Methylsulfanylbenzoyl)pentylidene(triphenyl)phosphorane
Alternate Name(s) 1-[2-(methylsulfanyl)phenyl]-2-(triphenylphosphoranylidene)-1-hexanone
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Formula C31H31OPS
InChI InChI=1S/C31H31OPS/c1-3-4-23-29(31(32)28-22-14-15-24-30(28)34-2)33(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-22,24H,3-4,23H2,1-2H3
InChIKey QIAULNFLOQLXNO-UHFFFAOYSA-N
Molecular Weight 482.622 g/mol
SMILES C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(c1c(SC)cccc1)=O)CCCC
SPLASH splash10-014i-0110900000-e4440f606603df61a856
Source of Spectrum KC-0-2458-10
Wiley ID 782079