Molecular properties
- Formula
- C15H21N
- Molar mass
- 215.34 g·mol−1
- Exact mass
- 215.1674 Da
- 6
- PubChem CID
- 11378918
Molecule record
4-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
- 4-n-Octylbenzonitrile
- 4-octylbenzenecarbonitrile
- 60484-68-6
- AKOS024389638
- BS-28940
- Benzonitrile, 4-octyl-
- DTXCID70414852
- DTXSID10464033
Show all 14 synonyms
- MFCD00799351
- MWFMIIMHAJLWAY-UHFFFAOYSA-N
- RefChem:328093
- SBB059150
- SCHEMBL1312730
- ST51044276
Structure identifiers
- Canonical SMILES
- CCCCCCCCc1ccc(C#N)cc1
- Isomeric SMILES
- CCCCCCCCC1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C15H21N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-8H2,1H3
- InChIKey
- MWFMIIMHAJLWAY-UHFFFAOYSA-N
- PubChem CID
- 11378918
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-octylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-octylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.