| SpectraBase Compound ID | 7nPZ7wWC6FH |
|---|---|
| InChI | InChI=1S/C11H9BrFN3O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,1H3,(H,15,17) |
| InChIKey | VOYJYZQWZRHYCP-UHFFFAOYSA-N |
| Mol Weight | 298.12 g/mol |
| Molecular Formula | C11H9BrFN3O |
| Exact Mass | 296.991303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5EknwWwj3qe |
|---|---|
| Name | N-(4-Bromo-2-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.991303084 u |
| Formula | C11H9BrFN3O |
| InChI | InChI=1S/C11H9BrFN3O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,1H3,(H,15,17) |
| InChIKey | VOYJYZQWZRHYCP-UHFFFAOYSA-N |
| Molecular Weight | 298.115 g/mol |
| SMILES | N(C=1C(=CC(=CC1)Br)F)C(C1=CN(C)N=C1)=O |