![4-Bromo-5-[p-fluorophenyl]pyrazole, 3-carboxylic acid, ethyl ester](/api/spectrum/2UYgkrT4Qva/structure.png?h=300&w=458 "4-Bromo-5-[p-fluorophenyl]pyrazole, 3-carboxylic acid, ethyl ester")
| SpectraBase Compound ID | 6Yce2IfXdXt |
|---|---|
| InChI | InChI=1S/C12H10BrFN2O2/c1-2-18-12(17)11-9(13)10(15-16-11)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H,15,16) |
| InChIKey | BPOHABIQCCNLJM-UHFFFAOYSA-N |
| Mol Weight | 313.13 g/mol |
| Molecular Formula | C12H10BrFN2O2 |
| Exact Mass | 311.990969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UYgkrT4Qva |
|---|---|
| Name | 4-Bromo-5-[p-fluorophenyl]pyrazole, 3-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.990968731 u |
| Formula | C12H10BrFN2O2 |
| InChI | InChI=1S/C12H10BrFN2O2/c1-2-18-12(17)11-9(13)10(15-16-11)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H,15,16) |
| InChIKey | BPOHABIQCCNLJM-UHFFFAOYSA-N |
| Molecular Weight | 313.126 g/mol |
| SMILES | C1(=NNC(=C1Br)C(=O)OCC)C1=CC=C(C=C1)F |