Acedoben

• Formula: C₉H₉NO₃
• Molecular weight: 179.1727
• IUPAC Standard InChI: InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) Copy

  
• IUPAC Standard InChIKey: QCXJEYYXVJIFCE-UHFFFAOYSA-N Copy
• CAS Registry Number: 556-08-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Deanol acetamidobenzoate
• Other names: Benzoic acid, 4-(acetylamino)-; Benzoic acid, p-acetamido-; p-Acetamidobenzoic acid; p-Acetoaminobenzoic acid; p-Acetylaminobenzoic acid; N-Acetyl-p-aminobenzoic acid; 4-Acetamidobenzoic acid; 4-Acetylaminobenzoic acid; 4-Carboxyacetanilide; 4'-Carboxyacetanilide; p-Acetaminobenzoic acid; p-Acetaminophenylcarboxylic acid; PAAB; p-Carboxyacetanilide; Benzoic acid, 4-acetamido-; N-(4-Carboxyphenyl)acetic acid amide; NSC 4002
• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to calorie-based units

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

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

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

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gamble, Gilbert, et al., 1970
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G., Substituent effects in the fragmentation of acetanilides,, J. Chem. Soc. B, 1970, 1231. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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