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(+)-3-methylcyclohexanone
SpectraBase Compound ID JOBDELGQoNV
InChI InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey UJBOOUHRTQVGRU-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Exoxu67Jbi9
Name Cyclohexanone, 3-methyl-
Alternate Name(s) (+)-(3R)-3-Methylcyclohexanone (+)-3-Methylcyclohexanone (3R)-3-Methylcyclohexanone (R)-(+)-3-Methylcyclohexanone 3-Methyl-1-cyclohexanone Cyclohexanone, 3-methyl-, (R)- 3-methylcyclohexan-1-one 3-Methylcyclohexanone Methyl-3 cyclohexanone-1 AI3-05634 BRN 0969804 EINECS 209-710-7 EINECS 236-438-6 NSC 3709
CAS Registry Number 591-24-2
Comments Less than 3 mono-isotopic peaks
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Formula C7H12O
InChI InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey UJBOOUHRTQVGRU-UHFFFAOYSA-N
Molecular Weight 112.172 g/mol
SMILES CC1CC(=O)CCC1
SPLASH splash10-014i-9300000000-48b02b5bebd7f53b267a
Source of Spectrum F-44-2059-0
Wiley ID 1123460