α-Phenylacetoacetonitrile

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Systematic / IUPAC Name: 3-Oxo-2-phenylbutanenitrile

ID: Reference8351

Other Names: 1-Cyano-1-phenyl-2-propanone;
2-Acetyl-2-phenylacetonitrile;
2-Oxo-1-phenylpropyl cyanide;
2-Phenylacetoacetonitrile;
3-Oxo-2-phenyl-butyronitrile ; more

Formula: C10H9NO

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

α-Phenylacetoacetonitrile 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 85
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2018 10:46:21 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3
InChI Key KHNWFTMUBKJWRZ-UHFFFAOYSA-N
Canonical SMILES CC(=O)C(C#N)C1=CC=CC=C1
CAS 4468488
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Other Names 1-Cyano-1-phenyl-2-propanone;
2-Acetyl-2-phenylacetonitrile;
2-Oxo-1-phenylpropyl cyanide;
2-Phenylacetoacetonitrile;
3-Oxo-2-phenyl-butyronitrile;
a-Acetylbenzeneacetonitride;
a-Acetylphenylacetonitrile;
Acetoacetonitrile, 2-phenyl-;
Acetonitrile, 2-acetyl-2-phenyl-;
Acetonitrile, phenylaceto;
α-Aceto-α-cyanotoluene;
α-Acetylbenzeneacetonitrile;
α-Acetylphenylacetonitrile;
α-Tolunitrile, α-acetyl-;
Benzeneacetonitrile,-acetyl-;
Benzeneacetonitrile, α-acetyl-;
Phenylacetoacetonitrile;
Phenyl-acetyl-acetonitril

In Other Databases

PubChem 20547
ChemIDPlus 004468488; 4468488
ChemSpider 19351