butyl hexanoate-d11

• Formula: C₁₀H₉D₁₁O₂
• Molecular weight: 183.3324
• IUPAC Standard InChI: InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3/i1D3,3D2,5D2,7D2,8D2 Copy

  
• IUPAC Standard InChIKey: RPRPDTXKGSIXMD-RHDAGMOESA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Isotopologues:
  • Hexanoic acid, butyl ester
  • butyl-d3 hexanoate-d3
  • butyl hexanoate-d3
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• Information on this page:
  • Gas Chromatography
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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

Kovats' RI, 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.

Rowan, Allen, et al., 1999
Rowan, D.D.; Allen, J.M.; Fielder, S.; Hunt, M.B., Biosynthesis of straight-chain ester volatiles in Red Delicious and Granny Smith apples using deuterium-labeled precursors, J. Agric. Food Chem., 1999, 47, 7, 2553-2562, https://doi.org/10.1021/jf9809028 . [all data]

Notes

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