4-Acetamidobenzoic acid

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Systematic / IUPAC Name: 4-Acetamidobenzoic acid

ID: Reference1744

Other Names: Benzoic acid, 4-(acetylamino)-;
p-Acetaminobenzoic acid;
p-Acetoaminobenzoic acid;
N-Acetyl-p-aminobenzoic acid;
p-Acetylaminobenzoic acid ; more

Formula: C9H9NO3

Spectral Data

4-Acetamidobenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 146
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 5:03:35 PM
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Identificators

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)
InChI Key QCXJEYYXVJIFCE-UHFFFAOYSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)C(=O)O
CAS 556081
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Other Names Benzoic acid, 4-(acetylamino)-;
p-Acetaminobenzoic acid;
p-Acetoaminobenzoic acid;
N-Acetyl-p-aminobenzoic acid;
p-Acetylaminobenzoic acid;
4-(Acetylamino)benzenecarboxylic acid;
Acedoben;
p-Acetamidobenzoic acid;
4-Carboxyacetanilide;
Benzoic acid, p-acetamido-

In Other Databases

PubChem 19266
KEGG D03836
ChEBI CHEBI:46171
Wikipedia Acedoben
ChemSpider 18177
ChemIDPlus 029305166; 000556081; 061990510; 002847656; 002857036
ChEMBL CHEMBL112687