| SpectraBase Compound ID | IJgSlClKKVf |
|---|---|
| InChI | InChI=1S/C11H11N3O2/c1-14-10(11(15)16-2)7-9(13-14)8-3-5-12-6-4-8/h3-7H,1-2H3 |
| InChIKey | FKTIGOMNHOVPMY-UHFFFAOYSA-N |
| Mol Weight | 217.23 g/mol |
| Molecular Formula | C11H11N3O2 |
| Exact Mass | 217.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3CUoSoDjqO |
|---|---|
| Name | Methyl 3-(pyridin-4-yl)-1H-pyrazole-5-carboxylate N-methyl- (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.085126604 u |
| Formula | C11H11N3O2 |
| InChI | InChI=1S/C11H11N3O2/c1-14-10(11(15)16-2)7-9(13-14)8-3-5-12-6-4-8/h3-7H,1-2H3 |
| InChIKey | FKTIGOMNHOVPMY-UHFFFAOYSA-N |
| Molecular Weight | 217.228 g/mol |
| SMILES | C1(=NN(C(=C1)C(=O)OC)C)C1=CC=NC=C1 |