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cis-4-methyl-3-(phenylsulfonyl)-cyclohexan-1-one
SpectraBase Compound ID LQesLGeY9dz
InChI InChI=1S/C13H16O3S/c1-10-7-8-11(14)9-13(10)17(15,16)12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3/t10-,13+/m1/s1
InChIKey KYXYUBRSMMVUBO-MFKMUULPSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7W2Luk5xhJ9
Name cis-4-methyl-3-(phenylsulfonyl)-cyclohexan-1-one
Appearance White crystals
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Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-10-7-8-11(14)9-13(10)17(15,16)12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3/t10-,13+/m1/s1
InChIKey KYXYUBRSMMVUBO-MFKMUULPSA-N
Ionization Type EI
Molecular Weight 252.328 g/mol
SMILES C1C(=O)C[C@](S(=O)(c2ccccc2)=O)([C@](C)(C1)[H])[H]
SPLASH splash10-0900-9500000000-559a7bd039561c52e4d6
Source of Spectrum CA2438509C
Thin-Layer Chromatography Rf = 0.2 (hexane:ethyl acetate, 6:4)
Wiley ID 1841340