3-Phenylpropionitrile
625
Reference
3-Phenylpropionitrile Structure
Systematic / IUPAC Name: 3-Phenylpropanenitrile
ID: Reference625
Other Names:
Benzenepropionitrile;
2-Phenylethyl cyanide;
(2-Cyanoethyl)benzene;
Phenethyl cyanide;
Phenylpropionitrile
; more
Formula: C9H9N
Class: Endogenous Metabolites
Spectral Data
3-Phenylpropionitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 71 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/13/2015 10:20:25 AM |
Identificators
| InChI | InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2 |
| InChI Key | ACRWYXSKEHUQDB-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CCC#N |
| CAS | 645590 |
| Splash | |
| Other Names |
Benzenepropionitrile; 2-Phenylethyl cyanide; (2-Cyanoethyl)benzene; Phenethyl cyanide; Phenylpropionitrile; 3-Phenylpropiononitrile; Benzylacetonitrile; 1-Cyano-2-phenylethane; 1-Phenyl-2-cyanoethane; β-Phenylpropionitrile |