Molecular properties
- Formula
- C13H17N
- Molar mass
- 187.29 g·mol−1
- Exact mass
- 187.1361 Da
- 6
- PubChem CID
- 18417718
Molecule record
2-hexylbenzonitrile
C13H17N
187.29 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
- SCHEMBL3629719
Structure identifiers
- Canonical SMILES
- CCCCCCc1ccccc1C#N
- Isomeric SMILES
- CCCCCCC1=CC=CC=C1C#N
- InChI
- InChI=1S/C13H17N/c1-2-3-4-5-8-12-9-6-7-10-13(12)11-14/h6-7,9-10H,2-5,8H2,1H3
- InChIKey
- YJAICRQJVYWDCE-UHFFFAOYSA-N
- PubChem CID
- 18417718
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 2-hexylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-hexylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.