Molecular properties
- Formula
- C12H15N
- Molar mass
- 173.26 g·mol−1
- Exact mass
- 173.1204 Da
- 6
- PubChem CID
- 19008100
Molecule record
3-pentylbenzonitrile
C12H15N
173.26 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
- SCHEMBL2774540
- SCHEMBL3022843
- SCHEMBL3845021
- SCHEMBL5329091
- SCHEMBL921919
- UYUIDVLROVJNBR-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- CCCCCc1cccc(C#N)c1
- Isomeric SMILES
- CCCCCC1=CC(=CC=C1)C#N
- InChI
- InChI=1S/C12H15N/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-9H,2-4,6H2,1H3
- InChIKey
- UYUIDVLROVJNBR-UHFFFAOYSA-N
- PubChem CID
- 19008100
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-pentylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-pentylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.