2α-Isopropenyl-6α-isopropyl-3α-methyl-3α-vinylcyclohexanone

• Formula: C₁₅H₂₄O
• Molecular weight: 220.3505
• IUPAC Standard InChI: InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3/t12-,13+,15+/m0/s1 Copy

  
• IUPAC Standard InChIKey: GWHRSRIPLDHJHR-GZBFAFLISA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (2S,3S,6S)-6-Isopropyl-3-methyl-2-(prop-1-en-2-yl)-3-vinylcyclohexanone
  • (2R,3R,6S)-6-Isopropyl-3-methyl-2-(prop-1-en-2-yl)-3-vinylcyclohexanone
  • 6-Epishyobunone
  • Shyobunone isomer 1
  • Shyobunone isomer 2
  • 6-epi-Shyobunone
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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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

Van Den Dool and Kratz 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.

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]

Notes

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