Bicyclo-[2.2.2]-octan-2-on
Compound with spectra: 5 NMR, 1 FTIR, and 1 MS (GC)
![Bicyclo-[2.2.2]-octan-2-on](/api/compound/Ia228dy1bPk.png?ph=true&h=300&w=458 "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 |
| Copyright | Copyright © 1980, 1981-2025 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 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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) |
- Bicyclo(2.2.2)octan-2-one
- (1s,4s)-bicyclo[2.2.2]octan-2-one
CIS(E,A)-2,5-DIMETHYLCYCLOHEXANONE
cis-1-(4'-hydroxymethyl-cyclohexyl)ethanone
Trans-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
cis-4-(Hydroxymethyl)cyclohexanecarboxylic acid
2-Propylcyclohexanone
Trans-4-(aminomethyl)cyclohexane carboxylic amide
| 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 |
This compound is available in the following databases:
Wiley SmartSpectra Vapor Phase IR Database Collection
Author: Wiley
Designed for use with Wiley’s KnowItAll IR Spectral Library collection, this computed VPIR database can be used in unknown identification to expand your available chemical compound coverage and improve your analytical workflow. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.