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2-Phenylsulfonyl-5-butylcyclohexanone

View entire compound with spectra: 1 MS (GC)

2-Phenylsulfonyl-5-butylcyclohexanone
SpectraBase Compound ID HaMBpu2lUYS
InChI InChI=1S/C16H22O3S/c1-2-3-7-13-10-11-16(15(17)12-13)20(18,19)14-8-5-4-6-9-14/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3
InChIKey PKCYZPQXGXUSAE-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WF1BbEhTA7
Name 2-Phenylsulfonyl-5-butylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-2-3-7-13-10-11-16(15(17)12-13)20(18,19)14-8-5-4-6-9-14/h4-6,8-9,13,16H,2-3,7,10-12H2,1H3
InChIKey PKCYZPQXGXUSAE-UHFFFAOYSA-N
Molecular Weight 294.409 g/mol
SMILES C1(C(CCC(C1)CCCC)S(=O)(=O)c1ccccc1)=O
SPLASH splash10-0udi-0930000000-38897176a334a1cac57b
Source of Spectrum QE-8-936-7
Synonyms 5-Butyl-2-(phenylsulfonyl)cyclohexanone
Wiley ID 1557263