| SpectraBase Compound ID | 1lSmzeijgFr |
|---|---|
| InChI | InChI=1S/C13H16ClN/c1-13(2,14)8-7-10-9-15-12-6-4-3-5-11(10)12/h3-6,9,15H,7-8H2,1-2H3 |
| InChIKey | XLVORGNTOFMQLB-UHFFFAOYSA-N |
| Mol Weight | 221.73 g/mol |
| Molecular Formula | C13H16ClN |
| Exact Mass | 221.097127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3X54aHyUWb5 |
|---|---|
| Name | 3-(3-Chloranyl-3-methyl-butyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.097127219 u |
| Formula | C13H16ClN |
| InChI | InChI=1S/C13H16ClN/c1-13(2,14)8-7-10-9-15-12-6-4-3-5-11(10)12/h3-6,9,15H,7-8H2,1-2H3 |
| InChIKey | XLVORGNTOFMQLB-UHFFFAOYSA-N |
| Molecular Weight | 221.731 g/mol |
| SMILES | C=1NC2=C(C1CCC(Cl)(C)C)C=CC=C2 |