![Ethyl 5-[p-methoxyphenyl]-4-bromopyrazole-3-carboxylate](/api/spectrum/GRHfdV21vl5/structure.png?h=300&w=458 "Ethyl 5-[p-methoxyphenyl]-4-bromopyrazole-3-carboxylate")
| SpectraBase Compound ID | 9O0ym7GEWRD |
|---|---|
| InChI | InChI=1S/C13H13BrN2O3/c1-3-19-13(17)12-10(14)11(15-16-12)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | SEYGIFGHDDTFAM-UHFFFAOYSA-N |
| Mol Weight | 325.16 g/mol |
| Molecular Formula | C13H13BrN2O3 |
| Exact Mass | 324.010955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRHfdV21vl5 |
|---|---|
| Name | Ethyl 5-[p-methoxyphenyl]-4-bromopyrazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.010955284 u |
| Formula | C13H13BrN2O3 |
| InChI | InChI=1S/C13H13BrN2O3/c1-3-19-13(17)12-10(14)11(15-16-12)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | SEYGIFGHDDTFAM-UHFFFAOYSA-N |
| Molecular Weight | 325.162 g/mol |
| SMILES | C1(=NNC(=C1Br)C(OCC)=O)C1=CC=C(C=C1)OC |