| SpectraBase Compound ID | 1AzepQwJlU2 |
|---|---|
| InChI | InChI=1S/C11H15N3O4/c1-5-18-11(17)9-6-12-13(4)10(9)14(7(2)15)8(3)16/h6H,5H2,1-4H3 |
| InChIKey | VDPNBFRTXJPSRF-UHFFFAOYSA-N |
| Mol Weight | 253.26 g/mol |
| Molecular Formula | C11H15N3O4 |
| Exact Mass | 253.106256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cNVGmqLT8S |
|---|---|
| Name | Ethyl 5-(N-acetylacetamido)-1-methylpyrazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.106255971 u |
| Formula | C11H15N3O4 |
| InChI | InChI=1S/C11H15N3O4/c1-5-18-11(17)9-6-12-13(4)10(9)14(7(2)15)8(3)16/h6H,5H2,1-4H3 |
| InChIKey | VDPNBFRTXJPSRF-UHFFFAOYSA-N |
| Molecular Weight | 253.258 g/mol |
| SMILES | CC(=O)N(C(C)=O)C1=C(C=NN1C)C(OCC)=O |