Wine lactone, (3S, 3aR, 7aR)

• Formula: C₁₀H₁₄O₂
• Molecular weight: 166.2170
• IUPAC Standard InChI: InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3/t7-,8+,9+/m1/s1 Copy

  
• IUPAC Standard InChIKey: NQWBFQXRASPNLB-VGMNWLOBSA-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:
  • Wine lactone, (3S, 3aR, 7aS)
• Stereoisomers:
  • Wine lactone
  • 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone
  • Wine lactone, (3R, 3aR, 7aR)
  • Wine lactone, (3R, 3aR, 7aS)
  • Wine lactone, (3R, 3aS, 7aR)
  • Wine lactone, (3R, 3aS, 7aS)
  • Wine lactone, (3S, 3aS, 7aS)
  • 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Options:
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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

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

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Normal alkane RI, polar column, custom temperature program

View large format table.

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.

Guth, 1996
Guth, H., 131. Determination of the configuration of wine lactone, Helv. Chim. Acta, 1996, 79, 6, 1559-1571, https://doi.org/10.1002/hlca.19960790606 . [all data]

Notes

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