Molecular properties
- Formula
- C13H15N
- Molar mass
- 185.27 g·mol−1
- Exact mass
- 185.1204 Da
- 7
- PubChem CID
- 15447216
Molecule record
3-tert-butylquinoline
C13H15N
185.27 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
- SCHEMBL294250
- SCHEMBL418110
- SCHEMBL8916440
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1cnc2ccccc2c1
- Isomeric SMILES
- CC(C)(C)C1=CC2=CC=CC=C2N=C1
- InChI
- InChI=1S/C13H15N/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11/h4-9H,1-3H3
- InChIKey
- GFRRZSJIIPXBKF-UHFFFAOYSA-N
- PubChem CID
- 15447216
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-tert-butylquinoline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-tert-butylquinoline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.