| SpectraBase Compound ID | Dj69XYNnt7m |
|---|---|
| InChI | InChI=1S/C11H16N2O4/c1-3-16-10(14)6-5-8-7-9(13-12-8)11(15)17-4-2/h7H,3-6H2,1-2H3,(H,12,13) |
| InChIKey | JWVBZASXYSCIIZ-UHFFFAOYSA-N |
| Mol Weight | 240.26 g/mol |
| Molecular Formula | C11H16N2O4 |
| Exact Mass | 240.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uhKE2u9A3b |
|---|---|
| Name | Ethyl 3(5)-(3-ethoxy-3-oxopropyl)-1H-pyrazole-5(3)-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.111006999 u |
| Formula | C11H16N2O4 |
| InChI | InChI=1S/C11H16N2O4/c1-3-16-10(14)6-5-8-7-9(13-12-8)11(15)17-4-2/h7H,3-6H2,1-2H3,(H,12,13) |
| InChIKey | JWVBZASXYSCIIZ-UHFFFAOYSA-N |
| Molecular Weight | 240.259 g/mol |
| SMILES | C=1(NN=C(C1)CCC(=O)OCC)C(=O)OCC |