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[(1E)-1-(chloromethylene)pentyl]sulfanylbenzene
SpectraBase Compound ID NafuPaqV3A
InChI InChI=1S/C12H15ClS/c1-2-3-7-12(10-13)14-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3/b12-10+
InChIKey PLPFKRBDLYLPDT-ZRDIBKRKSA-N
Mol Weight 226.76 g/mol
Molecular Formula C12H15ClS
Exact Mass 226.058299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42kApJ0ioTd
Name [(1E)-1-(chloromethylene)pentyl]sulfanylbenzene
Alternate Name(s) [(E)-1-chloranylhex-1-en-2-yl]sulfanylbenzene [(E)-1-chlorohex-1-en-2-yl]sulfanylbenzene [[(E)-1-butyl-2-chloro-vinyl]thio]benzene [[(E)-1-chlorohex-1-en-2-yl]thio]benzene
Comments Less than 3 mono-isotopic peaks
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Formula C12H15ClS
InChI InChI=1S/C12H15ClS/c1-2-3-7-12(10-13)14-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3/b12-10+
InChIKey PLPFKRBDLYLPDT-ZRDIBKRKSA-N
Molecular Weight 226.765 g/mol
SMILES C(\C(=C/Cl)Sc1ccccc1)CCC
SPLASH splash10-000i-0940000000-9381f9952b1c2269071d
Source of Spectrum F-50-12404-29
Wiley ID 789791