| SpectraBase Compound ID | KdeA9mW0U22 |
|---|---|
| InChI | InChI=1S/C8H10N2O3/c1-13-8(12)2-3-10-5-7(6-11)4-9-10/h4-6H,2-3H2,1H3 |
| InChIKey | VXSYKQAXEHHTDO-UHFFFAOYSA-N |
| Mol Weight | 182.18 g/mol |
| Molecular Formula | C8H10N2O3 |
| Exact Mass | 182.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47kuaFTR1oJ |
|---|---|
| Name | Methyl 3-(4-formylpyrazol-1-yl)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.069142187 u |
| Formula | C8H10N2O3 |
| InChI | InChI=1S/C8H10N2O3/c1-13-8(12)2-3-10-5-7(6-11)4-9-10/h4-6H,2-3H2,1H3 |
| InChIKey | VXSYKQAXEHHTDO-UHFFFAOYSA-N |
| Molecular Weight | 182.179 g/mol |
| SMILES | C=1(C=NN(CCC(OC)=O)C1)C=O |