Molecular properties
- Formula
- C16H23N
- Molar mass
- 229.37 g·mol−1
- Exact mass
- 229.1830 Da
- 6
- PubChem CID
- 53676297
Molecule record
2-nonylbenzonitrile
C16H23N
229.37 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
- SCHEMBL10659253
- SCHEMBL10659260
- SCHEMBL3213671
Structure identifiers
- Canonical SMILES
- CCCCCCCCCc1ccccc1C#N
- Isomeric SMILES
- CCCCCCCCCC1=CC=CC=C1C#N
- InChI
- InChI=1S/C16H23N/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14-17/h9-10,12-13H,2-8,11H2,1H3
- InChIKey
- WNMOLKGELKFNBO-UHFFFAOYSA-N
- PubChem CID
- 53676297
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-nonylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-nonylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.