Molecular properties
- Formula
- C12H17NO
- Molar mass
- 191.27 g·mol−1
- Exact mass
- 191.1310 Da
- 5
- PubChem CID
- 53865969
Molecule record
3-pentylbenzamide
C12H17NO
191.27 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Amide
Aromatic ring
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL10669101
- SCHEMBL10669113
Structure identifiers
- Canonical SMILES
- CCCCCc1cccc(C(N)=O)c1
- Isomeric SMILES
- CCCCCC1=CC(=CC=C1)C(=O)N
- InChI
- InChI=1S/C12H17NO/c1-2-3-4-6-10-7-5-8-11(9-10)12(13)14/h5,7-9H,2-4,6H2,1H3,(H2,13,14)
- InChIKey
- FHISYWAZCAAVIC-UHFFFAOYSA-N
- PubChem CID
- 53865969
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-pentylbenzamide; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-pentylbenzamide; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.