Molecular properties
- Formula
- C18H27N
- Molar mass
- 257.42 g·mol−1
- Exact mass
- 257.2143 Da
- 6
- PubChem CID
- 150478765
Molecule record
3-undecylbenzonitrile
C18H27N
257.42 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
No synonyms are recorded for this molecule.
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCc1cccc(C#N)c1
- Isomeric SMILES
- CCCCCCCCCCCC1=CC(=CC=C1)C#N
- InChI
- InChI=1S/C18H27N/c1-2-3-4-5-6-7-8-9-10-12-17-13-11-14-18(15-17)16-19/h11,13-15H,2-10,12H2,1H3
- InChIKey
- HTJCBPABJYLIGE-UHFFFAOYSA-N
- PubChem CID
- 150478765
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 3-undecylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-undecylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.