1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m0/s1 Copy

  
• IUPAC Standard InChIKey: IRAQOCYXUMOFCW-KYEXWDHISA-N Copy
• CAS Registry Number: 469-61-4
• 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.
• Stereoisomers:
  • Di-epi-α-cedrene
  • 2-epi-α-Funebrene
  • 1H-3a,7-Methanoazulene,2,3,4,7,8,8a -hexahydro-3,6,8,8-tetramethyl-
  • 7-epi-α-Cedrene
  • 1H,3a,7-Methanoazulene-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl, [3Rα,3aβ,7β,8aα)
  • 2-epi-α-Funebrene
  • α-Funebrene
  • 1,7-di-epi-α-Cedrene
• Other names: Cedr-8-ene; α-Cedrene; (3R,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene; (-)-α-Cedrene; [3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
  • Switch to SI units

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

Go To: Top, References, Notes

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

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes

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

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

Helmig, Bocquet, et al., 2004
Helmig, D.; Bocquet, F.; Pollmann, J.; Revermann, T., Analytical techniques for sesquiterpene emission rate studies in vegetation enclosure experiments, Atmos. Environ., 2004, 38, 4, 557-572, https://doi.org/10.1016/j.atmosenv.2003.10.012 . [all data]

Chanegriha, Baaliouamer, et al., 1998
Chanegriha, N.; Baaliouamer, A.; Rolando, C., Polarity changes during capillary gas chromatographic and gas chromatographic-mass spectrometric analysis using serially coupled columns of different natures and temperature programming. Application to the identification of constituents of essential oils, J. Chromatogr. A, 1998, 819, 1-2, 61-65, https://doi.org/10.1016/S0021-9673(98)00449-X . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.