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]benzonitrileMolecular Formula
C18H17NOMolecular Mass
263.33Cite 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 ) (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