| SpectraBase Compound ID | 3xmgN4WB9UL |
|---|---|
| InChI | InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12) |
| InChIKey | YLIOAWKNPLJMID-UHFFFAOYSA-N |
| Mol Weight | 223.07 g/mol |
| Molecular Formula | C9H7BrN2 |
| Exact Mass | 221.979261 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZq28SNdaVF |
|---|---|
| Name | 5-(4-Bromophenyl)-1H-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.979261233 u |
| Formula | C9H7BrN2 |
| InChI | InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12) |
| InChIKey | YLIOAWKNPLJMID-UHFFFAOYSA-N |
| Molecular Weight | 223.073 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C1=CN=CN1 |