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]benzonitrileMolecular Formula
C18H17NOMolecular Mass
263.33Cite 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 ) (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