trans-α-Bergamotene

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: YMBFCQPIMVLNIU-UHFFFAOYSA-N Copy
• CAS Registry Number: 13474-59-4
• 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.
• Species with the same structure:
  • 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)
  • Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
  • cis-α-Bergamotene
• Stereoisomers:
  • l-trans-α-Bergamotene
  • (-)-α-trans-Bergamotene
  • α-trans-β-Bergamotene
  • cis-α-Bergamotene
  • (E)-α-Bergamotene
  • α-trans-Bergamotene
  • α-cis-Bergamotene
  • α-(E)-Bergamotene
• Other names: 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene; α-trans-Bergamotene; (E)-α-Bergamotene; α-E-Bergamotene; trans-Bergamotene; (E)-α-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]- hept-2-ene ((E)-α-bergamotene); α-trans-Bergamoptene; Bergamotene (α-trans); trans-α-bergamottene; Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
  • Switch to SI units

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

Go To: Top, Mass spectrum (electron ionization), 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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Kovats' RI, 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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Van Den Dool and Kratz RI, polar column, temperature ramp

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

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

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Cicció, J.F., A source of almost pure methyl chavicol: volatile oil from the aerial parts of Tagetes lucida (Asteraceae) cultivated in Costa Rica, Rev. Biol. Trop., 2004, 52, 4, 853-857, retrieved from http://www.tropiweb.com. [all data]

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Ghannadi, A.; Zolfaghari, B., Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran, Flavour Fragr. J., 2003, 18, 3, 237-239, https://doi.org/10.1002/ffj.1215 . [all data]

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Notes

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