4-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898780-29-5
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CAS Name

4-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C18H17NO

Molecular Mass

263.33

Cite this Page

4-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898780-29-5 (retrieved 2024-09-07) (CAS RN: 898780-29-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=OAONDAMFZTWAOH-UHFFFAOYSA-N

SMILES

C(CCC1=CC(C)=CC(C)=C1)(=O)C2=CC=C(C#N)C=C2

Canonical SMILES

N#CC1=CC=C(C=C1)C(=O)CCC=2C=C(C=C(C2)C)C

Other Names for this Substance

  • Benzonitrile, 4-[3-(3,5-dimethylphenyl)-1-oxopropyl]-
  • 4-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile