1,3,5-Cycloheptatriene, 3,7,7-trimethyl-

• Formula: C₁₀H₁₄
• Molecular weight: 134.2182
• IUPAC Standard InChI: InChI=1S/C10H14/c1-9-5-4-7-10(2,3)8-6-9/h4-8H,1-3H3 Copy

  
• IUPAC Standard InChIKey: VOURXYUVXXLJMD-UHFFFAOYSA-N Copy
• CAS Registry Number: 3479-89-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 3,7,7-Trimethylcyclohepta-1,3,5-triene; 3,7,7-Trimethyl-1,3,5-cycloheptatriene
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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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

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, isothermal

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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, temperature ramp

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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.

Udarov, Manukov, et al., 1987
Udarov, B.G.; Manukov, E.N.; Vyglazov, O.G.; Chuiko, V.A.; Izotova, L.V., Gas-chromatographic analysis of alkylated derivatives of carane and of cyclohelptane in capillary columns, Chem. Nat. Compd. (Engl. Transl.), 1987, 22, 4, 398-403, https://doi.org/10.1007/BF00579809 . [all data]

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

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Romanenko and Tkachev, 2006
Romanenko, E.P.; Tkachev, A.V., Identification by GC-MS of cymene isomers and 3,7,7-trimethylcyclohepta-1,3,5-triene in essential oils, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 6, 699-701, https://doi.org/10.1007/s10600-006-0256-6 . [all data]

Notes

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