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Molecule record

4-ethylbenzonitrile

C9H9N

131.18 g/mol

Loading structure

Molecular properties

Formula
C9H9N
Molar mass
131.18 g·mol−1
Exact mass
131.0735 Da
6
PubChem CID
91393

Functional groups

Alkane / alkyl carbon
Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 246-811-5
  • 25309-65-3
  • 4-Ethylbenzonitrile, 98%
  • 4-ethyl-benzonitrile
  • 4-ethylbenzenecarbonitrile
  • Benzonitrile, 4-ethyl-
  • CHEMBL3358230
  • DTXCID90102446
Show all 24 synonyms
  • DTXSID30179955
  • EINECS 246-811-5
  • HMS1732O08
  • InChI=1/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H
  • MFCD00016383
  • RefChem:98894
  • SCHEMBL131481
  • SCHEMBL337322
  • SCHEMBL457675
  • SCHEMBL458357
  • SCHEMBL7028817
  • SCHEMBL91062
  • SXFFMFAQNAFSLF-UHFFFAOYSA-N
  • bis(1-aziridinyl)-dimethylsilane
  • orb3023540
  • p-Ethylbenzonitrile

Structure identifiers

Canonical SMILES
CCc1ccc(C#N)cc1
Isomeric SMILES
CCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3
InChIKey
SXFFMFAQNAFSLF-UHFFFAOYSA-N
PubChem CID
91393

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 4-ethylbenzonitrile; not experimental data.

Simulated EI mass spectrum

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

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record