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1-Chloro-4-methylpenten-1-yl Tolyl sulfone
SpectraBase Compound ID IcBgB72Zbm0
InChI InChI=1S/C13H17ClO2S/c1-10(2)4-9-13(14)17(15,16)12-7-5-11(3)6-8-12/h5-10H,4H2,1-3H3/b13-9+
InChIKey IKTVMUPWKNGRLB-UKTHLTGXSA-N
Mol Weight 272.79 g/mol
Molecular Formula C13H17ClO2S
Exact Mass 272.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdkMoSx25N5
Name 1-Chloro-4-methylpenten-1-yl Tolyl sulfone
Alternate Name(s) (1Z)-1-chloro-4-methyl-1-pentenyl 4-methylphenyl sulfone 1-{[(1Z)-1-chloro-4-methyl-1-pentenyl]sulfonyl}-4-methylbenzene
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Formula C13H17ClO2S
InChI InChI=1S/C13H17ClO2S/c1-10(2)4-9-13(14)17(15,16)12-7-5-11(3)6-8-12/h5-10H,4H2,1-3H3/b13-9+
InChIKey IKTVMUPWKNGRLB-UKTHLTGXSA-N
Molecular Weight 272.790 g/mol
SMILES C(\C=C\(S(c1ccc(cc1)C)(=O)=O)Cl)C(C)C
SPLASH splash10-029o-4970000000-1e762cd8857153133557
Source of Spectrum AN-103-448-7
Wiley ID 747315