| SpectraBase Compound ID | 1tPFKQ2TMJ5 |
|---|---|
| InChI | InChI=1S/C10H11N3O4/c1-10(2)16-8(14)6(9(15)17-10)5-11-7-3-4-12-13-7/h3-5H,1-2H3,(H2,11,12,13) |
| InChIKey | FGUVSDLILOHVIW-UHFFFAOYSA-N |
| Mol Weight | 237.22 g/mol |
| Molecular Formula | C10H11N3O4 |
| Exact Mass | 237.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpfOK9YFHfd |
|---|---|
| Name | 5-(N-Pyrazol-3-ylaminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.074955842 u |
| Formula | C10H11N3O4 |
| InChI | InChI=1S/C10H11N3O4/c1-10(2)16-8(14)6(9(15)17-10)5-11-7-3-4-12-13-7/h3-5H,1-2H3,(H2,11,12,13) |
| InChIKey | FGUVSDLILOHVIW-UHFFFAOYSA-N |
| Molecular Weight | 237.215 g/mol |
| SMILES | C1(C(OC(OC1=O)(C)C)=O)=CNC1=NNC=C1 |