Molecular properties
- Formula
- C9H9N
- Molar mass
- 131.18 g·mol−1
- Exact mass
- 131.0735 Da
- 6
- PubChem CID
- 96692
Molecule record
3-ethylbenzonitrile
C9H9N
131.18 g/mol
Loading structure
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
- 1-Cyano-3-ethylbenzene
- 3-Aethylbenzonitril
- 3-Ethyl-benzonitrile
- 3-Ethylbenzonitrile #
- 3-ethylbenzenecarbonitrile
- 34136-57-7
- 920IKI3200
- Benzonitrile, 3-ethyl-
Show all 24 synonyms
- DTXCID50110209
- DTXSID90187718
- MFCD00045601
- NCIOpen2_001143
- NSC-86573
- NSC86573
- RefChem:1079345
- SCHEMBL126484
- SCHEMBL126485
- SCHEMBL455195
- SCHEMBL456237
- SCHEMBL456682
- SCHEMBL458972
- UNII-920IKI3200
- m-Ethylbenzonitrile
- orb3030158
Structure identifiers
- Canonical SMILES
- CCc1cccc(C#N)c1
- Isomeric SMILES
- CCC1=CC(=CC=C1)C#N
- InChI
- InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3
- InChIKey
- WEDBHNMGFLTQNC-UHFFFAOYSA-N
- PubChem CID
- 96692
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-ethylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-ethylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.