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3-(Phenylsulfonyl)cyclohexan-1-one
SpectraBase Compound ID BinI3h9HzBL
InChI InChI=1S/C12H14O3S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2
InChIKey BXKSAMBHWAXWHU-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ds7EklvPNgF
Name 3-(Phenylsulfonyl)cyclohexan-1-one
Alternate Name(s) 3-(benzenesulfonyl)-1-cyclohexanone 3-(benzenesulfonyl)cyclohexan-1-one 3-(Benzenesulfonyl)cyclohexanone 3-Besylcyclohexanone
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Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2
InChIKey BXKSAMBHWAXWHU-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES C1(CC(CCC1)S(=O)(=O)c1ccccc1)=O
SPLASH splash10-00kb-9000000000-5291bd126200646b51d6
Source of Spectrum F-54-7744-15
Wiley ID 807745