![Ethyl 5-[2,4-dichlorophenyl]-4-bromopyrazole-3-carboxylate](/api/spectrum/CyAad5qtGzU/structure.png?h=300&w=458 "Ethyl 5-[2,4-dichlorophenyl]-4-bromopyrazole-3-carboxylate")
| SpectraBase Compound ID | Hk4jylJrykf |
|---|---|
| InChI | InChI=1S/C12H9BrCl2N2O2/c1-2-19-12(18)11-9(13)10(16-17-11)7-4-3-6(14)5-8(7)15/h3-5H,2H2,1H3,(H,16,17) |
| InChIKey | OEKCQBREAGPFHW-UHFFFAOYSA-N |
| Mol Weight | 364.03 g/mol |
| Molecular Formula | C12H9BrCl2N2O2 |
| Exact Mass | 361.922446 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CyAad5qtGzU |
|---|---|
| Name | Ethyl 5-[2,4-dichlorophenyl]-4-bromopyrazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.922445936 u |
| Formula | C12H9BrCl2N2O2 |
| InChI | InChI=1S/C12H9BrCl2N2O2/c1-2-19-12(18)11-9(13)10(16-17-11)7-4-3-6(14)5-8(7)15/h3-5H,2H2,1H3,(H,16,17) |
| InChIKey | OEKCQBREAGPFHW-UHFFFAOYSA-N |
| Molecular Weight | 364.026 g/mol |
| SMILES | C1(=NNC(=C1Br)C(OCC)=O)C1=CC=C(C=C1Cl)Cl |