Molecular properties
- Formula
- C11H14O
- Molar mass
- 162.23 g·mol−1
- Exact mass
- 162.1045 Da
- 5
- PubChem CID
- 10192588
Molecule record
3-tert-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
- 23039-28-3
- 3-(1,1-Dimethylethyl)benzaldehyde
- 3-tert-butyl benz-aldehyde
- 3-tert-butyl-benzaldehyde
- 607-191-5
- AKOS005256579
- Benzaldehyde, 3-(1,1-dimethylethyl)-
- CS-0110008
Show all 24 synonyms
- DA-07890
- DTXCID70387355
- DTXSID90436531
- FS-5609
- FT-0716525
- MFCD11100027
- RefChem:505396
- SB35643
- SBB052130
- SCHEMBL1801049
- SCHEMBL29077756
- SCHEMBL29846591
- SCHEMBL309484
- SY358410
- Z1198310513
- m-tert-butylbenzaldehyde
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1cccc(C=O)c1
- Isomeric SMILES
- CC(C)(C)C1=CC=CC(=C1)C=O
- InChI
- InChI=1S/C11H14O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3
- InChIKey
- HKEQMVXZDQLSDY-UHFFFAOYSA-N
- PubChem CID
- 10192588
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-tert-butylbenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-tert-butylbenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.