3-Isothujone

• Formula: C₁₀H₁₆O
• Molecular weight: 152.2334
• IUPAC Standard InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 Copy

  
• IUPAC Standard InChIKey: USMNOWBWPHYOEA-MRTMQBJTSA-N Copy
• 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:
  • Thujone
• Stereoisomers:
  • Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-
  • Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4β,5α)]-
  • δ-Thujone
  • iso-3-Thujone
• Information on this page:
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
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Notes

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