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Benzene, 1,1'-[[1-(phenylmethyl)hexylidene]bis(thio)]bis-
SpectraBase Compound ID H7Pi87GOqVk
InChI InChI=1S/C25H28S2/c1-2-3-13-20-25(21-22-14-7-4-8-15-22,26-23-16-9-5-10-17-23)27-24-18-11-6-12-19-24/h4-12,14-19H,2-3,13,20-21H2,1H3
InChIKey QFJHNCXKZXTIGT-UHFFFAOYSA-N
Mol Weight 392.62 g/mol
Molecular Formula C25H28S2
Exact Mass 392.163243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aPrbf4HFf0
Name Benzene, 1,1'-[[1-(phenylmethyl)hexylidene]bis(thio)]bis-
Alternate Name(s) 1-Phenyl-2,2-bis(phenylthio)heptane 2,2-bis(phenylthio)-1-heptane {[1-benzyl-1-(phenylsulfanyl)hexyl]sulfanyl}benzene
CAS Registry Number 77815-73-7
Comments Less than 3 mono-isotopic peaks
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Formula C25H28S2
InChI InChI=1S/C25H28S2/c1-2-3-13-20-25(21-22-14-7-4-8-15-22,26-23-16-9-5-10-17-23)27-24-18-11-6-12-19-24/h4-12,14-19H,2-3,13,20-21H2,1H3
InChIKey QFJHNCXKZXTIGT-UHFFFAOYSA-N
Molecular Weight 392.619 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)(Cc1ccccc1)CCCCC
SPLASH splash10-0a59-0950000000-87cb5063a2a42fd84b2b
Source of Spectrum KC-1986-188-0
Wiley ID 1366010