| SpectraBase Compound ID | 4aLMayCtoI0 |
|---|---|
| InChI | InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3 |
| InChIKey | RPPPCKSHIYWAPW-UHFFFAOYSA-N |
| Mol Weight | 249.25 g/mol |
| Molecular Formula | C12H12FN3O2 |
| Exact Mass | 249.091355 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZFxAm2mupF |
|---|---|
| Name | Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.091354799 u |
| Formula | C12H12FN3O2 |
| InChI | InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3 |
| InChIKey | RPPPCKSHIYWAPW-UHFFFAOYSA-N |
| Molecular Weight | 249.245 g/mol |
| SMILES | C1(F)=CC=C(C=C1)N1N=CC(=C1N)C(=O)OCC |