CAS Registry Number 123732-09-2
Name:
Benzonitrile, 4-​(3-​oxocyclohexyl)​-
3-(4-Cyanophenyl)cyclohexanone

Chemical Formula: C13H13NO
Exact Mass: 199.10
Molecular Weight: 199.25
m/z: 199.10 (100.0%), 200.10 (14.5%)

InChI: InChI=1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-7,12H,1-3,8H2
InChIKey: YERDBWDYWNZYDJ-UHFFFAOYSA-N
Canonical SMILES : C1CC(CC(=O)C1)C2=CC=C(C=C2)C#N

Specification

98%

1. (2) Nakao, Yoshiaki; Journal of the American Chemical Society 2007, V129(29), P9137-9143 CAPLUS