Molecular properties
- Formula
- C12H16O
- Molar mass
- 176.26 g·mol−1
- Exact mass
- 176.1201 Da
- 5
- PubChem CID
- 13997671
Molecule record
2-pentylbenzaldehyde
C12H16O
176.26 g/mol
Loading structure
Functional groups
Aldehyde
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL1584216
- SCHEMBL617128
Structure identifiers
- Canonical SMILES
- CCCCCc1ccccc1C=O
- Isomeric SMILES
- CCCCCC1=CC=CC=C1C=O
- InChI
- InChI=1S/C12H16O/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h5-6,8-10H,2-4,7H2,1H3
- InChIKey
- RMVUDQNAQPBNNC-UHFFFAOYSA-N
- PubChem CID
- 13997671
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 2-pentylbenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-pentylbenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.