![Ethyl 5-[p-tolyl]-4-bromopyrazole-3-carboxylate](/api/spectrum/40VV7wmS8aa/structure.png?h=300&w=458 "Ethyl 5-[p-tolyl]-4-bromopyrazole-3-carboxylate")
| SpectraBase Compound ID | 3Mw6AluftdS |
|---|---|
| InChI | InChI=1S/C13H13BrN2O2/c1-3-18-13(17)12-10(14)11(15-16-12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | GRBAAKYYHFEUIP-UHFFFAOYSA-N |
| Mol Weight | 309.16 g/mol |
| Molecular Formula | C13H13BrN2O2 |
| Exact Mass | 308.016041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 40VV7wmS8aa |
|---|---|
| Name | Ethyl 5-[p-tolyl]-4-bromopyrazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.016040665 u |
| Formula | C13H13BrN2O2 |
| InChI | InChI=1S/C13H13BrN2O2/c1-3-18-13(17)12-10(14)11(15-16-12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | GRBAAKYYHFEUIP-UHFFFAOYSA-N |
| Molecular Weight | 309.163 g/mol |
| SMILES | C1=CC(=CC=C1C)C1=NNC(=C1Br)C(OCC)=O |