Molecular properties
- Formula
- C14H19N
- Molar mass
- 201.31 g·mol−1
- Exact mass
- 201.1517 Da
- 6
- PubChem CID
- 12259925
Molecule record
3-heptylbenzonitrile
C14H19N
201.31 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
- SCHEMBL10791414
Structure identifiers
- Canonical SMILES
- CCCCCCCc1cccc(C#N)c1
- Isomeric SMILES
- CCCCCCCC1=CC(=CC=C1)C#N
- InChI
- InChI=1S/C14H19N/c1-2-3-4-5-6-8-13-9-7-10-14(11-13)12-15/h7,9-11H,2-6,8H2,1H3
- InChIKey
- GQBUKXJAUWTJAG-UHFFFAOYSA-N
- PubChem CID
- 12259925
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-heptylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-heptylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.