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Molecule record

4-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
141176

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

  • 25117-74-2
  • 4-Ethoxy-benzonitrile
  • 4-Ethoxybenzoic acid nitrile
  • 4-ethoxybenzenecarbonitrile
  • 623-638-7
  • AKOS000222427
  • Benzonitrile, 4-ethoxy-
  • Benzonitrile, p-ethoxy-
Show all 24 synonyms
  • DTXCID20102297
  • DTXSID00179806
  • EBC-152236
  • FE67960
  • InChI=1/C9H9NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H
  • MFCD00001819
  • PJRLUGQMEZZDIY-UHFFFAOYSA-N
  • RefChem:292487
  • SBB055390
  • SCHEMBL1273724
  • SCHEMBL509602
  • SCHEMBL535439
  • SCHEMBL535440
  • SCHEMBL7772351
  • p-Ethoxybenzonitrile
  • p-ethoxycyanobenzene

Structure identifiers

Canonical SMILES
CCOc1ccc(C#N)cc1
Isomeric SMILES
CCOC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H9NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H3
InChIKey
PJRLUGQMEZZDIY-UHFFFAOYSA-N
PubChem CID
141176

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-ethoxybenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-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