Benzoic acid, 3-methyl-, butyl ester

• Formula: C₁₂H₁₆O₂
• Molecular weight: 192.2542
• IUPAC Standard InChI: InChI=1S/C12H16O2/c1-3-4-8-14-12(13)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: KECCQYFSODJESB-UHFFFAOYSA-N Copy
• CAS Registry Number: 6640-77-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • Butyl m-toluate
• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
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Gas phase ion energetics data

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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Appearance energy determinations

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.

Tajima, Yanagisawa, et al., 1980
Tajima, S.; Yanagisawa, T.; Azami, T.; Tsuchiya, T., Temperature effect on the single and double hydrogen atom transfer reactions in o-, m-, and p-toluic acid butyl esters, Org. Mass Spectrom., 1980, 15, 609. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy

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