Molecular properties
- Formula
- C12H13N
- Molar mass
- 171.24 g·mol−1
- Exact mass
- 171.1048 Da
- 7
- PubChem CID
- 87241149
Molecule record
4-tert-butylindole
C12H13N
171.24 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
No synonyms are recorded for this molecule.
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1cccc2c1C=C=N2
- Isomeric SMILES
- CC(C)(C)C1=C2C=C=NC2=CC=C1
- InChI
- InChI=1S/C12H13N/c1-12(2,3)10-5-4-6-11-9(10)7-8-13-11/h4-7H,1-3H3
- InChIKey
- SVBZKLNPDWJOHT-UHFFFAOYSA-N
- PubChem CID
- 87241149
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-butylindole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-tert-butylindole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.