2-(3,3-Dimethyl-1-oxobutyl)benzonitrile

CAS Registry Number®

898764-17-5
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CAS Name

2-(3,3-Dimethyl-1-oxobutyl)benzonitrile

Molecular Formula

C13H15NO

Molecular Mass

201.26

Cite this Page

2-(3,3-Dimethyl-1-oxobutyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898764-17-5 (retrieved 2024-07-08) (CAS RN: 898764-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=OYQMSIHPSQKJMX-UHFFFAOYSA-N

SMILES

C(CC(C)(C)C)(=O)C1=C(C#N)C=CC=C1

Canonical SMILES

N#CC=1C=CC=CC1C(=O)CC(C)(C)C

Other Names for this Substance

  • Benzonitrile, 2-(3,3-dimethyl-1-oxobutyl)-
  • 2-(3,3-Dimethyl-1-oxobutyl)benzonitrile