Molecular properties
- Formula
- C11H13N
- Molar mass
- 159.23 g·mol−1
- Exact mass
- 159.1048 Da
- 6
- PubChem CID
- 15165077
Molecule record
4-butan-2-ylbenzonitrile
C11H13N
159.23 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 142779-15-5
- 4-(sec-Butyl)benzonitrile
- AKOS022300021
- MFCD16301005
- NS-01243
- SCHEMBL2758516
Structure identifiers
- Canonical SMILES
- CCC(C)c1ccc(C#N)cc1
- Isomeric SMILES
- CCC(C)C1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C11H13N/c1-3-9(2)11-6-4-10(8-12)5-7-11/h4-7,9H,3H2,1-2H3
- InChIKey
- JIHSGKOBFASORG-UHFFFAOYSA-N
- PubChem CID
- 15165077
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-butan-2-ylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-butan-2-ylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.