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Molecule record

3-ethylundecane

C13H28

184.37 g/mol

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Molecular properties

Formula
C13H28
Molar mass
184.37 g·mol−1
Exact mass
184.2191 Da
0
PubChem CID
519397

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 17312-58-2
  • 3-Ethylundecane #
  • 9-Ethylundecane
  • DTXSID10334000
  • LMFA11000709
  • NS00112916
  • SCHEMBL100887
  • SCHEMBL10422686
Show all 17 synonyms
  • SCHEMBL10436126
  • SCHEMBL12484960
  • SCHEMBL28349337
  • SCHEMBL5984838
  • SCHEMBL7176153
  • SCHEMBL7587510
  • SCHEMBL9194080
  • UNDECANE,3-ETHYL-
  • Undecane, 3-ethyl-

Structure identifiers

Canonical SMILES
CCCCCCCCC(CC)CC
Isomeric SMILES
CCCCCCCCC(CC)CC
InChI
InChI=1S/C13H28/c1-4-7-8-9-10-11-12-13(5-2)6-3/h13H,4-12H2,1-3H3
InChIKey
NJDOLAPZCLPAHZ-UHFFFAOYSA-N
PubChem CID
519397

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-ethylundecane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-ethylundecane; 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