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)
  • Gas Chromatography
  • References
  • Notes
• Options:
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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

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

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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References

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

Todua, 2011
Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy

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