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Molecule record

2-(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
22044175

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

  • 1268267-77-1
  • 2-Isobutylbenzaldehyde
  • 821-374-9
  • AKOS013202810
  • DB-375622
  • EN300-1654951
  • RefChem:454255
  • SCHEMBL548215
Show all 10 synonyms
  • SCHEMBL5985113
  • Z1171158400

Structure identifiers

Canonical SMILES
CC(C)Cc1ccccc1C=O
Isomeric SMILES
CC(C)CC1=CC=CC=C1C=O
InChI
InChI=1S/C11H14O/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,8-9H,7H2,1-2H3
InChIKey
PESCNKPSEKLCQO-UHFFFAOYSA-N
PubChem CID
22044175

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

Simulated EI mass spectrum

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