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Molecule record

4-butylbenzaldehyde

C11H14O

162.23 g/mol

Loading structure

Molecular properties

Formula
C11H14O
Molar mass
162.23 g·mol−1
Exact mass
162.1045 Da
5
PubChem CID
70988

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

  • 1200-14-2
  • 214-851-2
  • 4-Butylbenzaldehyde, 90%
  • 4-N-BUTYLBENZALDEHYDE
  • 4-butyl-benzaldehyde
  • 4-butylbenzaldehyd
  • ARIREUPIXAKDAY-UHFFFAOYSA-
  • BDBM85653
Show all 24 synonyms
  • BENZALDEHYDE, P-BUTYL-
  • Benzaldehyde, 4-butyl-
  • CHEMBL242748
  • DTXCID0033544
  • DTXSID0061616
  • EINECS 214-851-2
  • InChI=1/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3
  • MFCD00040751
  • RefChem:520630
  • SCHEMBL2121182
  • SCHEMBL219423
  • SX6J8M5Z5H
  • UNII-SX6J8M5Z5H
  • p-Butylbenzaldehyde
  • p-butyl-benzaldehyde, h
  • p-n-Butylbenzaldehyde

Structure identifiers

Canonical SMILES
CCCCc1ccc(C=O)cc1
Isomeric SMILES
CCCCC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3
InChIKey
ARIREUPIXAKDAY-UHFFFAOYSA-N
PubChem CID
70988

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-butylbenzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-butylbenzaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
4-butylbenzaldehyde - Formula, Structure | ChemArche