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BICYCLO-[2.2.2]-OCTAN-2-ON

Compound with spectra: 5 NMR, and 3 MS (GC)

BICYCLO-[2.2.2]-OCTAN-2-ON
SpectraBase Compound ID Ia228dy1bPk
InChI InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2/t6-,7+
InChIKey VEPYQCZRVLNDBC-KNVOCYPGSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample P. J. Garratt, R. Riguera J. Org. Chem. 41, 465(1976)
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

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

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

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-8-299-10 (DOI: 10.1002/ffj.2730080603)

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SD-1981-0-0

View Spectrum of BICYCLO-[2.2.2]-OCTAN-2-ON

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum FF-8-299-10
  • Bicyclo(2.2.2)octan-2-one
  • (1s,4s)-bicyclo[2.2.2]octan-2-one
1-Deuterio-bicyclo(2.2.2)octan-2-one
Bicyclo(2.2.2)octan-2-one
1-Deuterio-bicyclo(2.2.2)octan-2-one
CIS(E,A)-2,5-DIMETHYLCYCLOHEXANONE
trans-1-(4'-hydroxymethyl-cyclohexyl)ethanone
cis-1-(4'-hydroxymethyl-cyclohexyl)ethanone
Iron, [(6,7,8,9-.eta.)-bicyclo[3.2.2]nona-6,8-dien-3-one]tricarbonyl-
1-CYCLOHEXYL-1-BUTANONE
trans-4-Ethylcyclohexanecarboxylic acid
2-Oxabicyclo(2.2.2)octan-3-one
2-Propylcyclohexanone
trans-4-(aminomethyl)cyclohexane carboxylic amide
2-Butylcyclopenanone
Title Journal or Book Year
Long-range substituent effects on the regioselectivity of one-carbon ring expansion of norbornan-7-ones Journal of the Chemical Society, Perkin Transactions 1 1993
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
Carbon-13 chemical shifts in bicyclo[2.2.2]octanes The Journal of Organic Chemistry 1976
Bicyclo(2.2.2)octan-2-one
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