Molecular properties
- Formula
- C11H13N
- Molar mass
- 159.23 g·mol−1
- Exact mass
- 159.1048 Da
- 6
- PubChem CID
- 77883
Molecule record
4-tert-butylbenzonitrile
C11H13N
159.23 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
- 224-137-2
- 3-Aminodi
- 4-(1,1-dimethylethyl)benzonitrile
- 4-t-Butylbenzonitrile
- 4-tert-Butyl-benzonitrile
- 4-tert-Butylcyanobenzene
- 4210-32-6
- AB02903
Show all 24 synonyms
- Benzonitrile, 4-(1,1-dimethylethyl)-
- Benzonitrile, p-tert-butyl-
- DTXCID10117436
- DTXSID70194945
- EC 224-137-2
- EINECS 224-137-2
- EN300-113499
- IIZURLNRIMKEDL-UHFFFAOYSA-
- InChI=1/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
- MFCD00075840
- P-T-BUTYLBENZONITRILE
- RefChem:526863
- UNII-Y968PR6AS9
- Y968PR6AS9
- p-tert-Butylbenzonitrile
- p-tert.-Butylbenzonitril
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1ccc(C#N)cc1
- Isomeric SMILES
- CC(C)(C)C1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
- InChIKey
- IIZURLNRIMKEDL-UHFFFAOYSA-N
- PubChem CID
- 77883
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 4-tert-butylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-tert-butylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.