neo-iso-3-Thujyl acetate

• Formula: C₁₂H₂₀O₂
• Molecular weight: 196.2860
• IUPAC Standard InChI: InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10-,11?,12+/m1/s1 Copy

  
• IUPAC Standard InChIKey: RYMWIDNPMDLHRP-VJPOPMDVSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • (1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-
  • (1R,3R,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-
  • (1R,3S,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-
  • (1R,3R,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel
  • Thujyl acetate
  • neo-3-thujyl acetate
  • 3-Isothujyl acetate
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• Information on this page:
  • Gas Chromatography
  • References
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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

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.

El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M., Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt, Pharmazie, 2004, 59, 226-230. [all data]

Notes

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