![4-Bromo-5-[p-bromophenyl]pyrazole-3-carboxylic acid, ethyl ester](/api/spectrum/DFjvKA4nOkP/structure.png?h=300&w=458 "4-Bromo-5-[p-bromophenyl]pyrazole-3-carboxylic acid, ethyl ester")
| SpectraBase Compound ID | DvQO6RNdmLF |
|---|---|
| InChI | InChI=1S/C12H10Br2N2O2/c1-2-18-12(17)11-9(14)10(15-16-11)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,15,16) |
| InChIKey | KHAUXABLDQTXMZ-UHFFFAOYSA-N |
| Mol Weight | 374.03 g/mol |
| Molecular Formula | C12H10Br2N2O2 |
| Exact Mass | 371.910904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFjvKA4nOkP |
|---|---|
| Name | 4-Bromo-5-[p-bromophenyl]pyrazole-3-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.910903568 u |
| Formula | C12H10Br2N2O2 |
| InChI | InChI=1S/C12H10Br2N2O2/c1-2-18-12(17)11-9(14)10(15-16-11)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,15,16) |
| InChIKey | KHAUXABLDQTXMZ-UHFFFAOYSA-N |
| Molecular Weight | 374.032 g/mol |
| SMILES | C1=CC(=CC=C1Br)C1=NNC(=C1Br)C(OCC)=O |