Molecular properties
- Formula
- C19H29N
- Molar mass
- 271.45 g·mol−1
- Exact mass
- 271.2300 Da
- 6
- PubChem CID
- 53932757
Molecule record
3-dodecylbenzonitrile
C19H29N
271.45 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
- DYUJCEUMIKBPJL-UHFFFAOYSA-N
- SCHEMBL15173796
- SCHEMBL9645874
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCc1cccc(C#N)c1
- Isomeric SMILES
- CCCCCCCCCCCCC1=CC(=CC=C1)C#N
- InChI
- InChI=1S/C19H29N/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)17-20/h12,14-16H,2-11,13H2,1H3
- InChIKey
- DYUJCEUMIKBPJL-UHFFFAOYSA-N
- PubChem CID
- 53932757
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-dodecylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-dodecylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.