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3-Pentanone, diphenyl mercaptole
SpectraBase Compound ID 96G7RybErHv
InChI InChI=1S/C17H20S2/c1-3-17(4-2,18-15-11-7-5-8-12-15)19-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey DTTSSMWEPWTVGE-UHFFFAOYSA-N
Mol Weight 288.47 g/mol
Molecular Formula C17H20S2
Exact Mass 288.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8EaVEbPAyE
Name 3-Pentanone, diphenyl mercaptole
Alternate Name(s) Benzene, 1,1'-[(1-ethylpropylidene)bis(thio)]bis- 2-Pentanone, diphenyl mercaptole 3,3-Bis(phenylthio)pentane {[1-ethyl-1-(phenylsulfanyl)propyl]sulfanyl}benzene
CAS Registry Number 35036-34-1
Comments Less than 3 mono-isotopic peaks
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Formula C17H20S2
InChI InChI=1S/C17H20S2/c1-3-17(4-2,18-15-11-7-5-8-12-15)19-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey DTTSSMWEPWTVGE-UHFFFAOYSA-N
Molecular Weight 288.467 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(CC)CC
SPLASH splash10-004i-0910000000-28205aa6b15fc6c29f7d
Source of Spectrum KC-1986-188-0
Wiley ID 1291868