Molecular properties
- Formula
- C15H21N
- Molar mass
- 215.34 g·mol−1
- Exact mass
- 215.1674 Da
- 6
- PubChem CID
- 18417655
Molecule record
2-octylbenzonitrile
C15H21N
215.34 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
- SCHEMBL10656881
- SCHEMBL10656889
- SCHEMBL6680392
Structure identifiers
- Canonical SMILES
- CCCCCCCCc1ccccc1C#N
- Isomeric SMILES
- CCCCCCCCC1=CC=CC=C1C#N
- InChI
- InChI=1S/C15H21N/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)13-16/h8-9,11-12H,2-7,10H2,1H3
- InChIKey
- GJJJXWFNWSKNBI-UHFFFAOYSA-N
- PubChem CID
- 18417655
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-octylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-octylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.