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(S)-4-Benzylsulfanyl-4-(4'-chloro-phenyl)-butan-2-one
SpectraBase Compound ID JXQwHX39mFw
InChI InChI=1S/C17H17ClOS/c1-13(19)11-17(15-7-9-16(18)10-8-15)20-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKey JMBANEUGFWGYPX-KRWDZBQOSA-N
Mol Weight 304.84 g/mol
Molecular Formula C17H17ClOS
Exact Mass 304.068864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GkHOj2sQVn
Name (S)-4-Benzylsulfanyl-4-(4'-chloro-phenyl)-butan-2-one
Alternate Name(s) (S)-4-(benzylthio)-4-(4-chlorophenyl)butan-2-one (4S)-4-(4-chlorophenyl)-4-(phenylmethylthio)-2-butanone (4S)-4-benzylsulfanyl-4-(4-chlorophenyl)butan-2-one (4S)-4-(4-chlorophenyl)-4-(phenylmethylsulfanyl)butan-2-one
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Formula C17H17ClOS
InChI InChI=1S/C17H17ClOS/c1-13(19)11-17(15-7-9-16(18)10-8-15)20-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKey JMBANEUGFWGYPX-KRWDZBQOSA-N
Literature Reference DOI 10.1021/ol200379r
Molecular Weight 304.835 g/mol
SMILES c1cc([C@@](SCc2ccccc2)(CC(C)=O)[H])ccc1Cl
SPLASH splash10-0006-9010000000-e5a590cb50556aba6dd3
Source of Spectrum A1-13-2150/SMS5-9
Wiley ID 1753124