Molecular properties
- Formula
- C12H16O
- Molar mass
- 176.26 g·mol−1
- Exact mass
- 176.1201 Da
- 5
- PubChem CID
- 10866869
Molecule record
3-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
- 89667-05-0
- Benzaldehyde, 3-pentyl-
- DTXCID20397186
- DTXSID20446365
- RefChem:321184
- SCHEMBL6853158
- SCHEMBL7292047
- SCHEMBL7292054
Structure identifiers
- Canonical SMILES
- CCCCCc1cccc(C=O)c1
- Isomeric SMILES
- CCCCCC1=CC(=CC=C1)C=O
- InChI
- InChI=1S/C12H16O/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-10H,2-4,6H2,1H3
- InChIKey
- MMXWSGFLBUSQPQ-UHFFFAOYSA-N
- PubChem CID
- 10866869
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-pentylbenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-pentylbenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.