| SpectraBase Compound ID | K4iACZtS00L |
|---|---|
| InChI | InChI=1S/C10H9BrN2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8H2 |
| InChIKey | WISINJRPABPDAH-UHFFFAOYSA-N |
| Mol Weight | 237.1 g/mol |
| Molecular Formula | C10H9BrN2 |
| Exact Mass | 235.994911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YGf2StxNs8 |
|---|---|
| Name | 1-(2-Bromobenzyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.994911298 u |
| Formula | C10H9BrN2 |
| InChI | InChI=1S/C10H9BrN2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8H2 |
| InChIKey | WISINJRPABPDAH-UHFFFAOYSA-N |
| Molecular Weight | 237.100 g/mol |
| SMILES | C1=NN(C=C1)CC=1C(=CC=CC1)Br |