Tropinone

• Formula: C₈H₁₃NO
• Molecular weight: 139.1949
• IUPAC Standard InChI: InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3 Copy

  
• IUPAC Standard InChIKey: QQXLDOJGLXJCSE-UHFFFAOYSA-N Copy
• CAS Registry Number: 532-24-1
• 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: 8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-; 1αH,5αH-Tropan-3-one; Tropanon; Tropanone; Tropinon; 3-Tropanone; 3-Tropinone; Tropionone; 8-Methyl-8-azabicyclo[3.2.1]octan-3-one; 1Ah,5ah-tropan-3-one; N-Methyl-8-azabicyclo[3.2.1]octan-3-one; NSC 118012; 1alphaH,5alphaH-Tropan-3-one; 25866-00-6; 35193-79-4; Tropan-3-one
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Phase change 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: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

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, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IR Spectrum

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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Additional Data

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, custom temperature program

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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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Spanka and Rademacher, 1986
Spanka, G.; Rademacher, P., Transannular interactions in difunctional medium rings. 1. n/π Interactions in cyclic amino ketones and aminoalkenes studied by photoelectron spectroscopy, J. Org. Chem., 1986, 51, 592. [all data]

Jenett-Siems, Weigl, et al., 2005
Jenett-Siems, K.; Weigl, R.; Böhm, A.; Mann, P.; Tofern-Reblin, B.; Ott, S.C.; Ghomian, A.; Kaloga, M.; Siems, K.; Witte, L.; Hilker, M.; Müller, F.; Eich, E., Chemotaxonomy of the pantropical genus Merremia (Convolvulaceae) based on the distribution of tropane alkaloids, Phytochemistry, 2005, 66, 12, 1448-1464, https://doi.org/10.1016/j.phytochem.2005.04.027 . [all data]

Humam, Munoz, et al., 2007
Humam, M.; Munoz, O.; Christen, P.; Hostettmann, K., Tropane alkaloids of the aerial part of Schizanthus tricolor, Nat. Prod. Commun., 2007, 2, 7, 743-747. [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Ei-Shazly and Wink M., 2008
Ei-Shazly, A.; Wink M., Tropane and pyrrolidine alkaloids from Convolvulus lanatus Vahl, Z. Naturforsch. C:, 2008, 63, 5-6, 321-325. [all data]

Notes

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• Symbols used in this document:
  

  Tboil

  Boiling point

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