CAS Registry Number: 76113-58-1

Name:

Benzonitrile, 4-​(2-​oxoethyl)​-
4-​(2-​Oxoethyl)​benzonitrile 

Chemical Formula: C9H7NO
Exact Mass: 145.05
Molecular Weight: 145.16
m/z: 145.05 (100.0%), 146.06 (9.9%)

InChI: InChI=1S/C9H7NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,6H,5H2
InChIKey: BTDMXRCUNUVYDT-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1CC=O)C#N

Specification

98%

(1) Dai, Liyan; Synthetic Communications 2011, V41(20), P3078-3084 CAPLUS