Butanoic acid, 1-methyloctyl ester

• Formula: C₁₃H₂₆O₂
• Molecular weight: 214.3443
• IUPAC Standard InChI: InChI=1S/C13H26O2/c1-4-6-7-8-9-11-12(3)15-13(14)10-5-2/h12H,4-11H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: HDDMRYSBWLSCQP-UHFFFAOYSA-N Copy
• CAS Registry Number: 69727-42-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1-Methyloctyl butyrate; 2-Nonyl butanoate
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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, polar column, temperature ramp

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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.

Strohalm, Dregus, et al., 2007
Strohalm, H.; Dregus, M.; Wahl, A.; Engel, K.-H., Enantioselective analysis of secondary alcohols and their esters in purple and yellow passion fruits, J. Agric. Food Chem., 2007, 55, 25, 10339-10344, https://doi.org/10.1021/jf072464n . [all data]

Notes

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