Molecular properties
- Formula
- C12H16O
- Molar mass
- 176.26 g·mol−1
- Exact mass
- 176.1201 Da
- 5
- PubChem CID
- 13657978
Molecule record
1-(3-tert-butylphenyl)ethanone
C12H16O
176.26 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-(3-TERT-BUTYL-PHENYL)-ETHANONE
- 1-(3-tert-Butylphenyl)ethan-1-one
- 3 inverted exclamation mark -(tert-Butyl)acetophenone
- 3'-t-butylacetophenone
- 3'-tert-Butylacetophenone
- 6136-71-6
- AKOS006307968
- CL9268
Show all 19 synonyms
- DS-17955
- DTXCID10496778
- DTXSID30545994
- F216775
- MFCD11113485
- RefChem:1054222
- SB37933
- SCHEMBL2879040
- SCHEMBL309330
- SY102786
- TVEGMYYTIFLVAP-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- CC(=O)c1cccc(C(C)(C)C)c1
- Isomeric SMILES
- CC(=O)C1=CC(=CC=C1)C(C)(C)C
- InChI
- InChI=1S/C12H16O/c1-9(13)10-6-5-7-11(8-10)12(2,3)4/h5-8H,1-4H3
- InChIKey
- TVEGMYYTIFLVAP-UHFFFAOYSA-N
- PubChem CID
- 13657978
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 1-(3-tert-butylphenyl)ethanone; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-(3-tert-butylphenyl)ethanone; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.