| SpectraBase Spectrum ID |
GXFshYiwUvs |
| Name |
3-Methylindole |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
83-34-1 |
| ChEBI ID |
9171 |
| Comments |
Saturated 3-methylindole - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9 H9 N |
| IUPAC Name |
3-methyl-1H-indole |
| InChI |
InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3 |
| InChIKey |
ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| KEGG Compound ID |
C08313 |
| PubChem Compound ID |
6736 |
| SMILES |
CC1=CNC2=CC=CC=C12 |
| Source File Reference |
bmse000516 |
