Molecular properties
- Formula
- C15H22O
- Molar mass
- 218.34 g·mol−1
- Exact mass
- 218.1671 Da
- 5
- PubChem CID
- 53702267
Molecule record
3-octylbenzaldehyde
C15H22O
218.34 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
- 307498-20-0
- DB-366569
- SCHEMBL1881521
Structure identifiers
- Canonical SMILES
- CCCCCCCCc1cccc(C=O)c1
- Isomeric SMILES
- CCCCCCCCC1=CC(=CC=C1)C=O
- InChI
- InChI=1S/C15H22O/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)13-16/h8,10-13H,2-7,9H2,1H3
- InChIKey
- IVITVHMMDASELO-UHFFFAOYSA-N
- PubChem CID
- 53702267
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-octylbenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-octylbenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.