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Benzene, 1,1'-[(1-butyltridecylidene)bis(thio)]bis-
SpectraBase Compound ID 5wDXO44rnDo
InChI InChI=1S/C29H44S2/c1-3-5-7-8-9-10-11-12-13-20-26-29(25-6-4-2,30-27-21-16-14-17-22-27)31-28-23-18-15-19-24-28/h14-19,21-24H,3-13,20,25-26H2,1-2H3
InChIKey WSBOSCLBPQDLLA-UHFFFAOYSA-N
Mol Weight 456.8 g/mol
Molecular Formula C29H44S2
Exact Mass 456.288444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnZCymFsgax
Name Benzene, 1,1'-[(1-butyltridecylidene)bis(thio)]bis-
Alternate Name(s) 5,5-Bis(phenylthio)heptadecane {[1-butyl-1-(phenylsulfanyl)tridecyl]sulfanyl}benzene
CAS Registry Number 56651-48-0
Comments Less than 3 mono-isotopic peaks
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Formula C29H44S2
InChI InChI=1S/C29H44S2/c1-3-5-7-8-9-10-11-12-13-20-26-29(25-6-4-2,30-27-21-16-14-17-22-27)31-28-23-18-15-19-24-28/h14-19,21-24H,3-13,20,25-26H2,1-2H3
InChIKey WSBOSCLBPQDLLA-UHFFFAOYSA-N
Molecular Weight 456.791 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(CCCC)CCCCCCCCCCCC
SPLASH splash10-03di-0901000000-ed7cb217d1e8b54ba391
Source of Spectrum KC-1986-188-0
Wiley ID 1389440