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Molecule record

4-Tridecanone

C13H26O

198.34 g/mol

2D structure for 4-Tridecanone

Molecular properties

Formula
C13H26O
Molar mass
198.34 g·mol−1
Exact mass
198.1984 Da
1
0
1
17.10 Ų
4.9 (PubChem computed XLogP3-AA descriptor)
CAS
26215-90-7
PubChem CID
98673

Interactions

Polarity
Polar functional group with nonpolar contribution from the carbon skeleton.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Ketone

Physical properties

PropertyValueConditionsSource
Logp4.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 247-519-0
  • 26215-90-7
  • 4-Tridecanone, AldrichCPR
  • CHEMBL1922860
  • DTXCID20103345
  • DTXSID80180854
  • EINECS 247-519-0
  • JWSRUPAFLPWLNO-UHFFFAOYSA-N
Show all 22 synonyms
  • MFCD00027351
  • NSC 158500
  • NSC-158500
  • NSC158500
  • Nonyl propyl ketone
  • RefChem:100554
  • SCHEMBL11782997
  • SCHEMBL5745590
  • SCHEMBL7830489
  • SCHEMBL9759908
  • Tridecan-4-one
  • Tridecan4one
  • n-Nonyl n-propyl ketone
  • tridecane-4-one

Structure identifiers

Canonical SMILES
CCCCCCCCCC(=O)CCC
Isomeric SMILES
CCCCCCCCCC(=O)CCC
InChI
InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3
InChIKey
JWSRUPAFLPWLNO-UHFFFAOYSA-N
PubChem CID
98673

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for 4-Tridecanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-Tridecanone; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record