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Benzene, [2-(methylthio)-1-butenyl]-, (E)-
SpectraBase Compound ID BVthvZUqqfq
InChI InChI=1S/C11H14S/c1-3-11(12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+
InChIKey UPWUCFZVDKPKCD-PKNBQFBNSA-N
Mol Weight 178.29 g/mol
Molecular Formula C11H14S
Exact Mass 178.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PBKjZ0Y4Td
Name Benzene, [2-(methylthio)-1-butenyl]-, (E)-
CAS Registry Number 71843-25-9
Comments Less than 3 mono-isotopic peaks
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Formula C11H14S
InChI InChI=1S/C11H14S/c1-3-11(12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9+
InChIKey UPWUCFZVDKPKCD-PKNBQFBNSA-N
Molecular Weight 178.293 g/mol
SMILES CS\C(=C\c1ccccc1)CC
SPLASH splash10-004i-0900000000-1013d1b1b860ab03ac55
Source of Spectrum KC-1979-1512-0
Synonyms (E)-1-ethyl-2-phenylethenyl methyl sulfide 1-Phenyl-2-methylthiobut-1-ene [(1E)-2-(methylsulfanyl)-1-butenyl]benzene
Wiley ID 1174475