butyl 2-methylbutanoate-d-9

• Formula: C₉H₉D₉O₂
• Molecular weight: 167.2935
• IUPAC Standard InChI: InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3/i2D3,3D3,5D2,8D Copy

  
• IUPAC Standard InChIKey: OTKQNSSMCDLVQV-DHTZSRRZSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Isotopologues:
  • Butyl 2-methylbutanoate
  • butyl 2-methylbutanoate-d-3
  • butyl-d3 2-methylbutanoate
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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, Lane, et al., 1996
Rowan, D.D.; Lane, H.P.; Allen, J.M.; Fielder, S.; Hunt, M.B., Biosynthesis of 2-methylbutyl, 2-methyl-2-butenyl, and 2-methylbutanoate esters in Red Delicious and Granny Smith apples using deuterium-labeled substrates, J. Agric. Food Chem., 1996, 44, 10, 3276-3285, https://doi.org/10.1021/jf9508209 . [all data]

Notes

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