Bicyclo(3.3.1)nonane-2,6-dione - The NIST WebBook

Bicyclo(3.3.1)nonane-2,6-dione

• Formula: C9H12O2
• Molecular weight: 152.1904
• IUPAC Standard InChI: InChI=1S/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2 Copy
• IUPAC Standard InChIKey: QWNPVTXLBMSEPN-UHFFFAOYSA-N Copy
• CAS Registry Number: 16473-11-3
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript.
• Other names: Bicyclo[3.3.1]nona-2,6-dione; Meerwein's ketone
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.0	PE	Albert, Elsasser, et al., 1991
9.33	PE	Doerner, Gleiter, et al., 1992	Vertical value
9.33	PE	Albert, Elsasser, et al., 1991	Vertical value

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Albert, Elsasser, et al., 1991 Albert, B.; Elsasser, D.; Heckel, D.; Kopmeier, S.; Martin, H.; Mayer, B.; Chow, T.J.; Wu, T.; Yeh, S., Syntheses, photoelectron spectra, and photoreactivity of polycyclic 1,5-diketones: Transannular interaction in the cyclooctane-1,5-dione fragment, Chem. Ber., 1991, 124, 803. [all data]

Doerner, Gleiter, et al., 1992 Doerner, T.; Gleiter, R.; Robbins, T.A.; Chayangkoon, P.; Lightner, D.A., Homoconjugation and transannular orbital interactions detected by photoelectron and 13C-NMR spectroscopy. Bicyclo[3.3.1]nona-3,7-diene-2,6-dione and bicyclo[3.3.1]nonane-2,6-dione, J. Am. Chem. Soc., 1992, 114, 3235. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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