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Benzene, 1,1'-[pentylidenebis(thio)]bis-
SpectraBase Compound ID KGqFuNpW5kz
InChI InChI=1S/C17H20S2/c1-2-3-14-17(18-15-10-6-4-7-11-15)19-16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey ZMIHDKYPLRFVIZ-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 18KslbwxzeE
Name Benzene, 1,1'-[pentylidenebis(thio)]bis-
Alternate Name(s) Valeraldehyde, diphenyl mercaptal 1,1-Bis(phenylthio)pentane Pentanal bis(phenylthio) acetal Retrojusticidin B {[1-(Phenylsulfanyl)pentyl]sulfanyl}benzene
CAS Registry Number 56651-44-6
Comments Less than 3 mono-isotopic peaks
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Formula C17H20S2
InChI InChI=1S/C17H20S2/c1-2-3-14-17(18-15-10-6-4-7-11-15)19-16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey ZMIHDKYPLRFVIZ-UHFFFAOYSA-N
Molecular Weight 288.467 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)CCCC
SPLASH splash10-004i-0920000000-4e784655ac130942ae83
Source of Spectrum KC-1983-1135-0
Wiley ID 1291860