2-methylbutyl-d-3 hexanoate

• Formula: C₁₁H₁₉D₃O₂
• Molecular weight: 189.3097
• IUPAC Standard InChI: InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3/i2D3 Copy

  
• IUPAC Standard InChIKey: ZWMQVDONBUJJLL-BMSJAHLVSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Isotopologues:
  • Hexanoic acid, 2-methylbutyl ester
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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, 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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