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Molecule record

3-(2-methylpropyl)benzaldehyde

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
22044176

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

  • 139155-54-7
  • 3-isobutylbenzaldehyde
  • AKOS013202813
  • MFCD19598740
  • PAKVVBUMZKSHFZ-UHFFFAOYSA-N
  • SCHEMBL30138671
  • SCHEMBL4681720
  • SCHEMBL8482536

Structure identifiers

Canonical SMILES
CC(C)Cc1cccc(C=O)c1
Isomeric SMILES
CC(C)CC1=CC(=CC=C1)C=O
InChI
InChI=1S/C11H14O/c1-9(2)6-10-4-3-5-11(7-10)8-12/h3-5,7-9H,6H2,1-2H3
InChIKey
PAKVVBUMZKSHFZ-UHFFFAOYSA-N
PubChem CID
22044176

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 3-(2-methylpropyl)benzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-(2-methylpropyl)benzaldehyde; 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
3-(2-methylpropyl)benzaldehyde - Formula, Structure | ChemArche