Molecular properties
- Formula
- C17H25N
- Molar mass
- 243.39 g·mol−1
- Exact mass
- 243.1987 Da
- 6
- PubChem CID
- 21688623
Molecule record
4-decylbenzonitrile
C17H25N
243.39 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
- 744255-67-2
- CS-0498663
- H52887
- SCHEMBL9850260
- UOHQDNJBROEYBL-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCc1ccc(C#N)cc1
- Isomeric SMILES
- CCCCCCCCCCC1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C17H25N/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(15-18)14-12-16/h11-14H,2-10H2,1H3
- InChIKey
- UOHQDNJBROEYBL-UHFFFAOYSA-N
- PubChem CID
- 21688623
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-decylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-decylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.