Molecular properties
- Formula
- C11H14O
- Molar mass
- 162.23 g·mol−1
- Exact mass
- 162.1045 Da
- 5
- PubChem CID
- 22044177
Molecule record
3-butylbenzaldehyde
C11H14O
162.23 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
- 1698593-88-2
- 3-n-ButylbenZaldehyde
- MFCD31923534
- SCHEMBL3032722
- SCHEMBL3032724
Structure identifiers
- Canonical SMILES
- CCCCc1cccc(C=O)c1
- Isomeric SMILES
- CCCCC1=CC(=CC=C1)C=O
- InChI
- InChI=1S/C11H14O/c1-2-3-5-10-6-4-7-11(8-10)9-12/h4,6-9H,2-3,5H2,1H3
- InChIKey
- APZTUKVIMWTXBQ-UHFFFAOYSA-N
- PubChem CID
- 22044177
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-butylbenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-butylbenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.