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CAS Number: 39528-62-6
3-(4-(tert-butyl)phenyl)-3-oxopropanenitrile

Structure

 3-(4-(tert-butyl)phenyl)-3-oxopropanenitrile
Name: 3-(4-(tert-butyl)phenyl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 39528626

CAS Registry Number 39528-62-6
Name:
Benzenepropanenitril?e, 4-?(1,?1-?dimethylethyl)?-?β-?oxo-
(p-tert-Butylbenzoyl)acetonitrile
3-(4-tert-Butylphenyl)-3-oxopropanenitrile
4-tert-Butylbenzoylacetonitrile

 

Chemical Formula: C13H15NO
Exact Mass: 201.12
Molecular Weight: 201.26
m/z: 201.12 (100.0%), 202.12 (14.3%), 203.12 (1.2%)

 

InChI:InChI=1S/C13H15NO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8H2,1-3H3

InChI Key:LKZFEKFWLCDIBF-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(=O)CC#N

Specification

98%
References

PCT Int. Appl. (2007), WO 2007036730 A1 20070405.                                  

PCT Int. Appl. (2005), WO 2005070916 A1 20050804. 
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