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Molecule record

(3-oxocyclohexyl) acetate

C8H12O3

156.18 g/mol

Loading structure

Molecular properties

Formula
C8H12O3
Molar mass
156.18 g·mol−1
Exact mass
156.0786 Da
3
PubChem CID
13792428

Functional groups

Alkane / alkyl carbon
Ester
Ether
Ketone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 3-Acetoxycyclohexanone
  • 53164-77-5
  • DTXCID90500367
  • DTXSID80549583
  • RefChem:281554
  • SCHEMBL8805010

Structure identifiers

Canonical SMILES
CC(=O)OC1CCCC(=O)C1
Isomeric SMILES
CC(=O)OC1CCCC(=O)C1
InChI
InChI=1S/C8H12O3/c1-6(9)11-8-4-2-3-7(10)5-8/h8H,2-5H2,1H3
InChIKey
SHBSJXDUJMMRFE-UHFFFAOYSA-N
PubChem CID
13792428

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-oxocyclohexyl) acetate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (3-oxocyclohexyl) acetate; 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