α-Acetamidocinnamic acid

• Formula: C₁₁H₁₁NO₃
• Molecular weight: 205.2099
• IUPAC Standard InChI: InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7- Copy

  
• IUPAC Standard InChIKey: XODAOBAZOQSFDS-YFHOEESVSA-N Copy
• CAS Registry Number: 5469-45-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: α-Acetaminocinnamic acid; 2-Propenoic acid, 2-(acetylamino)-3-phenyl-; α-Acetoamidocinnamic acid; 3-Phenyl-2-acetylaminoprop-2-enoic acid; 1-acetamidocinnamic acid
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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.

Ajo, Casarin, et al., 1984
Ajo, D.; Casarin, M.; Granozzi, G.; Ottenheijm, H.C.J.; Plate, R., An investigation of the electronic structure of α,β-unsaturated acetylamino acid ethyl esters using He(I) and He(II) photoelectron spectroscopy, Recl. Trav. Chim. Pays-Bas, 1984, 103, 365. [all data]

Ajo, Casarin, et al., 1981
Ajo, D.; Casarin, M.; Granozzi, G.; Busetti, V., Flexibility of the dehydroalanine derivatives: Molecular and electronic structure of (Z)-N-acetyldehydrophenylalanine, Tetrahedron, 1981, 37, 3507. [all data]

Notes

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