Megastigma-4,6(E),8(E)-triene

• Formula: C₁₃H₂₀
• Molecular weight: 176.2979
• IUPAC Standard InChI: InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5+,12-9+ Copy

  
• IUPAC Standard InChIKey: BYDQKMZEOZVIJM-HFACTSAFSA-N Copy
• CAS Registry Number: 51468-86-1
• 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.
• Species with the same structure:
  • Megastigma-4,6(Z),8(E)-triene
  • Megastigma-4,6(E),8(Z)-triene
  • megastigma-4,6,8-triene
• Stereoisomers:
  • Megastigma-4,6(Z),8(Z)-triene
  • 6-But-2-enylidene-1,5,5-trimethylcyclohexene (isomer I)
  • 6-But-2-enylidene-1,5,5-trimethylcyclohexene (isomer II)
  • (E,Z)-4,6,8-Megastigmatriene
• Other names: Cyclohexene, 6-(2-butenylidene)-1,5,5-trimethyl-, (E,E)-; 1-(But-2-enylidene)-2,6,6-trimethylcyclohex-2-ene, (E,E)-; Megastigme-4,6(E),8(E)-triene; 6-[2-Butenylidene]-1,5,5-trimethyl-1-cyclohexene, (E,E)-; Cyclohexene, 6-(2E)-2-buten-1-ylidene-1,5,5-trimethyl-, (6E)-; 1-(but-2-enylidene)-2,6,6-trimethylcyclohex-2-ene[megastigma-4,6(E),8(E)-triene]
• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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Normal alkane RI, non-polar column, temperature ramp

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, Normal alkane RI, non-polar column, temperature ramp, Notes

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

Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P., Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method, Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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