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Benzene, 1,1'-[(1-butylpentylidene)bis(thio)]bis-
SpectraBase Compound ID 4j1XA4uJMBF
InChI InChI=1S/C21H28S2/c1-3-5-17-21(18-6-4-2,22-19-13-9-7-10-14-19)23-20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
InChIKey ZBGYGUMQQCNCRS-UHFFFAOYSA-N
Mol Weight 344.58 g/mol
Molecular Formula C21H28S2
Exact Mass 344.163243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iAs7XbaUy7
Name Benzene, 1,1'-[(1-butylpentylidene)bis(thio)]bis-
Alternate Name(s) 5,5-Bis(phenylthio)nonane {[1-butyl-1-(phenylsulfanyl)pentyl]sulfanyl}benzene
CAS Registry Number 56651-45-7
Comments Less than 3 mono-isotopic peaks
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Formula C21H28S2
InChI InChI=1S/C21H28S2/c1-3-5-17-21(18-6-4-2,22-19-13-9-7-10-14-19)23-20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
InChIKey ZBGYGUMQQCNCRS-UHFFFAOYSA-N
Molecular Weight 344.575 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(CCCC)CCCC
SPLASH splash10-03dr-0950000000-d6eff2aba16b9ec77071
Source of Spectrum KC-1986-188-0
Wiley ID 1338151