![Ethyl 5-[p-nitrophenyl]-4-bromopyrazole-3-carboxylate](/api/spectrum/ASCcMpdqjEp/structure.png?h=300&w=458 "Ethyl 5-[p-nitrophenyl]-4-bromopyrazole-3-carboxylate")
| SpectraBase Compound ID | 1S6Ufq8kTLV |
|---|---|
| InChI | InChI=1S/C12H10BrN3O4/c1-2-20-12(17)11-9(13)10(14-15-11)7-3-5-8(6-4-7)16(18)19/h3-6H,2H2,1H3,(H,14,15) |
| InChIKey | BJJMZFXEQUKAJB-UHFFFAOYSA-N |
| Mol Weight | 340.13 g/mol |
| Molecular Formula | C12H10BrN3O4 |
| Exact Mass | 338.985469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASCcMpdqjEp |
|---|---|
| Name | Ethyl 5-[p-nitrophenyl]-4-bromopyrazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.985468810 u |
| Formula | C12H10BrN3O4 |
| InChI | InChI=1S/C12H10BrN3O4/c1-2-20-12(17)11-9(13)10(14-15-11)7-3-5-8(6-4-7)16(18)19/h3-6H,2H2,1H3,(H,14,15) |
| InChIKey | BJJMZFXEQUKAJB-UHFFFAOYSA-N |
| Molecular Weight | 340.133 g/mol |
| SMILES | C1(=NNC(=C1Br)C(OCC)=O)C1=CC=C(C=C1)N(=O)=O |