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2-(Methylsulfonyl)cyclohexanone
SpectraBase Compound ID Lv3VdV5kc58
InChI InChI=1S/C7H12O3S/c1-11(9,10)7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChIKey KILKRQFHFYYRNM-UHFFFAOYSA-N
Mol Weight 176.23 g/mol
Molecular Formula C7H12O3S
Exact Mass 176.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiEkiGqIdK6
Name 2-(Methylsulfonyl)cyclohexanone
Alternate Name(s) 2-Methylsulfonyl-1-cyclohexanone 2-Methylsulfonylcyclohexanone 2-Methylsulfonylcyclohexan-1-one
CAS Registry Number 16096-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c1-11(9,10)7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChIKey KILKRQFHFYYRNM-UHFFFAOYSA-N
Molecular Weight 176.230 g/mol
SMILES C1(S(=O)(=O)C)C(=O)CCCC1
SPLASH splash10-0apl-9100000000-bd740154fd9efcf09efe
Source of Spectrum J-52-3623-4
Wiley ID 1171927