4-[3-(2,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

CAS Registry Number®

898794-90-6
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CAS Name

4-[3-(2,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

Molecular Formula

C18H17NO

Molecular Mass

263.33

Cite this Page

4-[3-(2,5-Dimethylphenyl)-1-oxopropyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898794-90-6 (retrieved 2024-09-07) (CAS RN: 898794-90-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=NMZSPIWWJPQPFH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1)C(=O)CCC2=CC(=CC=C2C)C

Other Names for this Substance

  • Benzonitrile, 4-[3-(2,5-dimethylphenyl)-1-oxopropyl]-
  • 4-[3-(2,5-Dimethylphenyl)-1-oxopropyl]benzonitrile