4-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898754-46-6
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CAS Name

4-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C18H17NO

Molecular Mass

263.33

Cite this Page

4-[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=898754-46-6 (retrieved 2024-09-07) (CAS RN: 898754-46-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QYAKRKHAEYTLKP-UHFFFAOYSA-N

SMILES

C(CC(=O)C1=CC=C(C#N)C=C1)C2=C(C)C=CC=C2C

Canonical SMILES

N#CC1=CC=C(C=C1)C(=O)CCC=2C(=CC=CC2C)C

Other Names for this Substance

  • Benzonitrile, 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]-
  • 4-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile