Acetoacetanilide

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Systematic / IUPAC Name: 3-Oxo-N-phenylbutanamide

ID: Reference2635

Other Names: α-Acetylacetanilide;
β-Ketobutyranilide;
N-(Acetylacetyl)aniline;
2-Acetylacetanilide;
Acetanilide, 2-acetyl- ; more

Formula: C10H11NO2

Class: Extractables/Leachables Textile Chemicals/Auxiliary/Dyes Industrial Chemicals

Spectral Data

Acetoacetanilide 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 Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 1005
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/29/2018 7:36:11 AM
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Identificators

InChI InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
InChI Key DYRDKSSFIWVSNM-UHFFFAOYSA-N
Canonical SMILES CC(=O)CC(=O)NC1=CC=CC=C1
CAS 102012
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Other Names α-Acetylacetanilide;
β-Ketobutyranilide;
N-(Acetylacetyl)aniline;
2-Acetylacetanilide;
Acetanilide, 2-acetyl-;
Acetoacetanilid;
Acetoacetylaniline;
α-Acetyl-N-phenylacetamide;
((Acetoacetyl)amino)benzene;
1-(Phenylcarbamoyl)-2-propanone;
3-Oxidanylidene-N-phenyl-butanamide;
3-Oxo-N-phenyl-butyramide;
Acetoacetamidobenzene;
Acetoacetic acid anilide;
Acetoacetic anilide;
Butanamide, 3-oxo-N-phenyl-;
Butanoic acid, 3-oxo, amide, N-phenyl-

In Other Databases

ChemSpider 7311
ChEMBL CHEMBL1604429
ChemIDPlus 000102012; 086349511
Wikipedia Acetoacetanilide
PubChem 7592