2-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898754-40-0
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CAS Name

2-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C18H17NO

Molecular Mass

263.33

Cite this Page

2-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898754-40-0 (retrieved 2024-09-07) (CAS RN: 898754-40-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H17NO/c1-13-6-5-7-14(2)16(13)10-11-18(20)17-9-4-3-8-15(17)12-19/h3-9H,10-11H2,1-2H3

InChIKey

InChIKey=CYCAJOLVMFGIPH-UHFFFAOYSA-N

SMILES

C(CCC1=C(C)C=CC=C1C)(=O)C2=C(C#N)C=CC=C2

Canonical SMILES

N#CC=1C=CC=CC1C(=O)CCC=2C(=CC=CC2C)C

Other Names for this Substance

  • Benzonitrile, 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]-
  • 2-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile