Molecular properties
- Formula
- C13H18O
- Molar mass
- 190.29 g·mol−1
- Exact mass
- 190.1358 Da
- 5
- PubChem CID
- 54153709
Molecule record
3-hexylbenzaldehyde
C13H18O
190.29 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
- SCHEMBL4083028
- SCHEMBL4083034
Structure identifiers
- Canonical SMILES
- CCCCCCc1cccc(C=O)c1
- Isomeric SMILES
- CCCCCCC1=CC(=CC=C1)C=O
- InChI
- InChI=1S/C13H18O/c1-2-3-4-5-7-12-8-6-9-13(10-12)11-14/h6,8-11H,2-5,7H2,1H3
- InChIKey
- BHNNSHADQMDKRC-UHFFFAOYSA-N
- PubChem CID
- 54153709
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-hexylbenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-hexylbenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.