| SpectraBase Compound ID | IdxV43oMNig |
|---|---|
| InChI | InChI=1S/C12H11BrN2O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3 |
| InChIKey | RUOCNWFJSMLHSD-UHFFFAOYSA-N |
| Mol Weight | 279.14 g/mol |
| Molecular Formula | C12H11BrN2O |
| Exact Mass | 278.005476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EuMcRbAMjd |
|---|---|
| Name | 1-(4-Bromobenzoyl)-3,5-dimethyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.005475981 u |
| Formula | C12H11BrN2O |
| InChI | InChI=1S/C12H11BrN2O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3 |
| InChIKey | RUOCNWFJSMLHSD-UHFFFAOYSA-N |
| SMILES | CC1=NN(C(C2=CC=C(Br)C=C2)=O)C(=C1)C |