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3-Methyl-bicyclo(2.2.2)octan-2-one

Compound with spectra: 2 NMR, and 2 MS (GC)

3-Methyl-bicyclo(2.2.2)octan-2-one
SpectraBase Compound ID 1Gavp5SEz13
InChI InChI=1S/C9H14O/c1-6-7-2-4-8(5-3-7)9(6)10/h6-8H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKey RMZQBMVYJTYCBD-PRJMDXOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol
Enantiomer InChIKey RMZQBMVYJTYCBD-BIIVOSGPSA-N

View Spectrum of 3-Methyl-bicyclo(2.2.2)octan-2-one

17O NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE

View Spectrum of 3-Methyl-bicyclo(2.2.2)octan-2-one

MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum FF-8-300-13 (DOI: 10.1002/ffj.2730080603)

View Spectrum of 3-Methyl-bicyclo(2.2.2)octan-2-one

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum FF-8-300-13

View Spectrum of 3-Methyl-bicyclo(2.2.2)octan-2-one

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (1R,3S,4R)-3-methylbicyclo[2.2.2]octan-2-one
Bicyclo[2.2.2]octanone, 3-methyl-
3-Methyl-bicyclo(2.2.2)octan-2-one
3-Methyl-bicyclo(2.2.2)octan-2-one
Cyclohexanebutanal, 2-methyl-3-oxo-, cis-
3-(4-Hydroxybutyl)-2-methylcyclohexanone
(1R,3S,6S)-3-methylnorcaran-2-one
(1R,3R,6S)-3-methylnorcaran-2-one
2-Norcaranone, 3-methyl-
Cis-(1R,6S)-3-Methyl-bicyclo[4.1.0]heptan-2-one
Ethanone, 1-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-, [trans(trans)]-
Ethanone, 1-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-, [1.alpha.(trans),4.alpha.]-
4-cyclopentylcyclohexanecarboxylic acid
Title Journal or Book Year
Oxygen-17 nuclear magnetic resonance. 2. Cyclohexanones The Journal of Organic Chemistry 1979
13C nuclear magnetic resonance studies. 58. 13C spectra of a variety of bicyclo[2.2.2]octane derivatives. Further definition of the deshielding δ effect Canadian Journal of Chemistry 1976

This compound is available in the following databases:

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3-Methyl-bicyclo(2.2.2)octan-2-one
3-Methyl-bicyclo(2.2.2)octan-2-one
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