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Molecule record

6-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
21940093

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,6-(1,1-dimethylethyl)-
  • 6-tert-Butylindole
  • 887581-54-6
  • AB31501
  • AKOS006287011
  • CS-0187177
  • DA-35933
  • DS-12353
Show all 15 synonyms
  • DTXSID10620435
  • EN300-368595
  • F472643
  • MFCD07367958
  • SCHEMBL28483399
  • SCHEMBL84519
  • SY122055

Structure identifiers

Canonical SMILES
CC(C)(C)c1ccc2cc[nH]c2c1
Isomeric SMILES
CC(C)(C)C1=CC2=C(C=C1)C=CN2
InChI
InChI=1S/C12H15N/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h4-8,13H,1-3H3
InChIKey
VNMQJWPTYZPZDM-UHFFFAOYSA-N
PubChem CID
21940093

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

Simulated EI mass spectrum

On-demand educational fragmentation for 6-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