| SpectraBase Compound ID | JxK3XUInJf8 |
|---|---|
| InChI | InChI=1S/C8H9N3O2/c1-6(12)5-7(13)11-8-9-3-2-4-10-8/h2-4H,5H2,1H3,(H,9,10,11,13) |
| InChIKey | HJCURYUYALHXRK-UHFFFAOYSA-N |
| Mol Weight | 179.18 g/mol |
| Molecular Formula | C8H9N3O2 |
| Exact Mass | 179.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kpAvVQzBi1 |
|---|---|
| Name | N-2-Pyrimidinylacetoacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.069476540 u |
| Formula | C8H9N3O2 |
| InChI | InChI=1S/C8H9N3O2/c1-6(12)5-7(13)11-8-9-3-2-4-10-8/h2-4H,5H2,1H3,(H,9,10,11,13) |
| InChIKey | HJCURYUYALHXRK-UHFFFAOYSA-N |
| SMILES | N(C1=NC=CC=N1)C(CC(C)=O)=O |