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Molecule record

3-ethoxybenzonitrile

C9H9NO

147.18 g/mol

Loading structure

Molecular properties

Formula
C9H9NO
Molar mass
147.18 g·mol−1
Exact mass
147.0684 Da
6
PubChem CID
91283

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ether
Nitrile

Physical properties

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

Common names and synonyms

  • 246-632-2
  • 25117-75-3
  • 3-Ethoxybenzoic acid nitrile
  • 3-Ethoxybenzonitrile(m-
  • 3-ethoxy-benzonitrile
  • 3-ethoxybenzenecarbonitrile
  • Benzonitrile, 3-ethoxy-
  • Benzonitrile, m-ethoxy-
Show all 24 synonyms
  • DTXCID80102298
  • DTXSID60179807
  • EINECS 246-632-2
  • InChI=1/C9H9NO/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2H2,1H
  • MFCD00001805
  • PFNAUBYHTWDKBO-UHFFFAOYSA-N
  • RefChem:93794
  • SCHEMBL1821556
  • SCHEMBL535546
  • SCHEMBL535547
  • SCHEMBL6102934
  • SCHEMBL7768246
  • SCHEMBL7772365
  • SCHEMBL7772437
  • m-Ethoxy benzonitrile
  • m-ethoxybenzonitrile

Structure identifiers

Canonical SMILES
CCOc1cccc(C#N)c1
Isomeric SMILES
CCOC1=CC=CC(=C1)C#N
InChI
InChI=1S/C9H9NO/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2H2,1H3
InChIKey
PFNAUBYHTWDKBO-UHFFFAOYSA-N
PubChem CID
91283

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-ethoxybenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-ethoxybenzonitrile; 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
3-ethoxybenzonitrile - Formula, Structure | ChemArche