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3-Bromophenyl Benzyl Sulfide
SpectraBase Compound ID VmkyKklQpM
InChI InChI=1S/C13H11BrS/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey XLAVZVKWYUIITE-UHFFFAOYSA-N
Mol Weight 279.19 g/mol
Molecular Formula C13H11BrS
Exact Mass 277.976485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19xCD9bcI0T
Name 3-Bromophenyl Benzyl Sulfide
Alternate Name(s) 1-bromo-3-(phenylmethylthio)benzene 1-benzylsulfanyl-3-bromobenzene 1-benzylsulfanyl-3-bromo-benzene 1-bromanyl-3-(phenylmethylsulfanyl)benzene
Comments Less than 3 mono-isotopic peaks
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Formula C13H11BrS
InChI InChI=1S/C13H11BrS/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey XLAVZVKWYUIITE-UHFFFAOYSA-N
Molecular Weight 279.195 g/mol
SMILES c1(SCc2ccccc2)cc(Br)ccc1
SPLASH splash10-0020-0090000000-fad8dd9187e85bf56b15
Source of Spectrum C-124-1896-2
Wiley ID 1701046