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

CAS Registry Number®

898755-76-5
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CAS Name

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

Molecular Formula

C18H17NO

Molecular Mass

263.33

Cite this Page

4-[3-(3,4-Dimethylphenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898755-76-5 (retrieved 2024-09-07) (CAS RN: 898755-76-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KBOCCBSEYVBVGX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1)C(=O)CCC2=CC=C(C(=C2)C)C

Other Names for this Substance

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