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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 B4T3tUHeWwa
Name Cyclohexanone, 3-methyl-
CAS Registry Number 13368-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 C1CCC(CC1=O)C
SPLASH splash10-05ox-9000000000-0d86cb7f95936f994850
Source of Spectrum EP-3979-0-0
Synonyms (+)-(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
Wiley ID 1123358