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CAS Number: 73204-07-6
4-(4-oxocyclohexyl)benzonitrile

Structure

 4-(4-oxocyclohexyl)benzonitrile
Name: 4-(4-oxocyclohexyl)benzonitrile
Synonyms:
General Information
Product Number: 73204076

CAS Registry Number 73204-07-6
Name:
Benzonitrile, 4-?(4-?oxocyclohexyl)?-
4-(p-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/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-4,12H,5-8H2

InChI Key:XFRVACCGEKPJDI-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)CCC1C2=CC=C(C=C2)C#N

Specification

98%
References

PCT Int. Appl. (2011), WO 2011029920 A1 20110317. 

PCT Int. Appl. (2010), WO 2010121046 A1 20101021.                                  
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