| SpectraBase Compound ID | 1A8FCvsFZgn |
|---|---|
| InChI | InChI=1S/C9H8BrN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3 |
| InChIKey | GDQXDVJFMLNXHX-UHFFFAOYSA-N |
| Mol Weight | 210.07 g/mol |
| Molecular Formula | C9H8BrN |
| Exact Mass | 208.984012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EcVOdUw8UAi |
|---|---|
| Name | 5-Bromo-3-methyl-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.984012262 u |
| Formula | C9H8BrN |
| InChI | InChI=1S/C9H8BrN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3 |
| InChIKey | GDQXDVJFMLNXHX-UHFFFAOYSA-N |
| Molecular Weight | 210.074 g/mol |
| SMILES | C=1NC2=C(C1C)C=C(C=C2)Br |