3-(4-Cyanophenyl)butanoic acid methyl ester

• Formula: C₁₂H₁₃NO₂
• Molecular weight: 203.2371
• IUPAC Standard InChI: InChI=1S/C12H13NO2/c1-9(7-12(14)15-2)11-5-3-10(8-13)4-6-11/h3-6,9H,7H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: PSTXFHNNCWHGNH-UHFFFAOYSA-N Copy
• CAS Registry Number: 61066-82-8
• Chemical structure:
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• 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

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.

Howe, Williams, et al., 1969
Howe, I.; Williams, D.H.; Kingston, D.G.I.; Tannenbaum, H.P., Substituent effects in the mass spectra of some - and -substituted methyl butyrates, J. Chem. Soc. B, 1969, 439. [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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