1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1α,4α,4aα,5β,8β,8aα)-

• Formula: C₁₂H₁₆
• Molecular weight: 160.2554
• IUPAC Standard InChI: InChI=1S/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-2,7-12H,3-6H2/t7-,8+,9-,10+,11-,12+ Copy

  
• IUPAC Standard InChIKey: XBFJAVXCNXDMBH-CJXDBHJTSA-N Copy
• CAS Registry Number: 36012-52-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • exo,endo-Tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-4-ene
  • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1α,4α,5β,8β)-
  • 1,4:5,8-dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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.

Paddon-Row, Patney, et al., 1982
Paddon-Row, M.N.; Patney, H.K.; Brown, R.S., Orbital interactions. XI. Application of photoelectron spectroscopy to the study of orbital interactions in some 2- and 9-substituted octahydrodimethanonaphthalenes, Aust. J. Chem., 1982, 35, 293. [all data]

Paddon-Row, Patney, et al., 1981
Paddon-Row, M.N.; Patney, H.K.; Brown, R.S.; Houk, K.N., Observation of a very large orbital interaction through four bonds. An alternative model of orbital interactions through bonds, J. Am. Chem. Soc., 1981, 103, 5575. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

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