phenylacetonitrile
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http://purl.obolibrary.org/obo/CHEBI_25979
A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.
Term info
Label
phenylacetonitrile
Synonyms
- phenylacetonitrile
Subsets
3_STAR
charge
0
formula
C8H7N
has obo namespace
chebi_ontology
has related synonym
benzeneacetonitrile, Benzyl cyanide, benzyl nitrile, alpha-tolunitrile, (cyanomethyl)benzene, benzyl cyanide, 2-phenylacetonitrile, alpha-cyanotoluene
id
CHEBI:25979
inchi
InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
inchikey
SUSQOBVLVYHIEX-UHFFFAOYSA-N
mass
117.14792
monoisotopicmass
117.05785
smiles
N#CCc1ccccc1
Term relations
Subclass of:
- nitrile
- benzenes
- has role some pheromone
- has role some animal metabolite
- has functional parent some acetonitrile
Related from: