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Benzene, 1,1'-[(1-ethyltridecylidene)bis(thio)]bis-
SpectraBase Compound ID FgYk348lN9B
InChI InChI=1S/C27H40S2/c1-3-5-6-7-8-9-10-11-12-19-24-27(4-2,28-25-20-15-13-16-21-25)29-26-22-17-14-18-23-26/h13-18,20-23H,3-12,19,24H2,1-2H3
InChIKey XIACSWYSMCIBAJ-UHFFFAOYSA-N
Mol Weight 428.7 g/mol
Molecular Formula C27H40S2
Exact Mass 428.257144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGiQsjkzy6Q
Name Benzene, 1,1'-[(1-ethyltridecylidene)bis(thio)]bis-
Alternate Name(s) 3,3-Bis(phenylthio)pentadecane {[1-ethyl-1-(phenylsulfanyl)tridecyl]sulfanyl}benzene
CAS Registry Number 77815-64-6
Comments Less than 3 mono-isotopic peaks
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Formula C27H40S2
InChI InChI=1S/C27H40S2/c1-3-5-6-7-8-9-10-11-12-19-24-27(4-2,28-25-20-15-13-16-21-25)29-26-22-17-14-18-23-26/h13-18,20-23H,3-12,19,24H2,1-2H3
InChIKey XIACSWYSMCIBAJ-UHFFFAOYSA-N
Molecular Weight 428.737 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(CC)CCCCCCCCCCCC
SPLASH splash10-03xr-0904000000-5fff99303da786b9754a
Source of Spectrum KC-1986-188-0
Wiley ID 1380843