3-Ethylbenzonitrile (CHEBI:194781)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-Ethylbenzonitrile

ChEBI ID	CHEBI:194781

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H9N

Net Charge

Average Mass

131.178

Monoisotopic Mass

131.07350

InChI

InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3

InChIKey

WEDBHNMGFLTQNC-UHFFFAOYSA-N

SMILES

N#CC=1C=C(CC)C=CC1

ChEBI Ontology
Outgoing	3-Ethylbenzonitrile (CHEBI:194781) is a benzenes (CHEBI:22712) 3-Ethylbenzonitrile (CHEBI:194781) is a nitrile (CHEBI:18379)

IUPAC Name

3-ethylbenzonitrile