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Molecule record

5-tert-butyl-1H-indole

C12H15N

173.26 g/mol

Loading structure

Molecular properties

Formula
C12H15N
Molar mass
173.26 g·mol−1
Exact mass
173.1204 Da
6
PubChem CID
21940086

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 1H-Indole, 5-(1,1-dimethylethyl)-
  • 5-tert-butylindole
  • 92462-70-9
  • AKOS022794459
  • BS-50790
  • CS-0147121
  • F471523
  • MFCD20668007
Show all 12 synonyms
  • QXJXPMHKYYMECP-UHFFFAOYSA-N
  • SCHEMBL28463442
  • SCHEMBL762037
  • SY242821

Structure identifiers

Canonical SMILES
CC(C)(C)c1ccc2[nH]ccc2c1
Isomeric SMILES
CC(C)(C)C1=CC2=C(C=C1)NC=C2
InChI
InChI=1S/C12H15N/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-8,13H,1-3H3
InChIKey
QXJXPMHKYYMECP-UHFFFAOYSA-N
PubChem CID
21940086

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 5-tert-butyl-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-tert-butyl-1H-indole; 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