4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile

CAS Registry Number®

39528-62-6
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CAS Name

4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile

Molecular Formula

C13H15NO

Molecular Mass

201.26

Cite this Page

4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39528-62-6 (retrieved 2024-09-06) (CAS RN: 39528-62-6).  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)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8H2,1-3H3

InChIKey

InChIKey=LKZFEKFWLCDIBF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanenitrile, 4-(1,1-dimethylethyl)-β-oxo-
  • 4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile
  • (p-tert-Butylbenzoyl)acetonitrile
  • 3-(4-tert-Butylphenyl)-3-oxopropanenitrile
  • 4-tert-Butylbenzoylacetonitrile