| SpectraBase Compound ID | 7zijKe9ZRCF |
|---|---|
| InChI | InChI=1S/C8H11BrN2O2/c1-3-13-8(12)5-11-6(2)7(9)4-10-11/h4H,3,5H2,1-2H3 |
| InChIKey | WKLQKQJGKPYCOY-UHFFFAOYSA-N |
| Mol Weight | 247.09 g/mol |
| Molecular Formula | C8H11BrN2O2 |
| Exact Mass | 246.000391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H08cVtGRnO8 |
|---|---|
| Name | Ethyl (4-bromo-5-methyl-1H-pyrazol-1-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.000390600 u |
| Formula | C8H11BrN2O2 |
| InChI | InChI=1S/C8H11BrN2O2/c1-3-13-8(12)5-11-6(2)7(9)4-10-11/h4H,3,5H2,1-2H3 |
| InChIKey | WKLQKQJGKPYCOY-UHFFFAOYSA-N |
| Molecular Weight | 247.092 g/mol |
| SMILES | CCOC(CN1N=CC(=C1C)Br)=O |