![2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(1-ethyl-1H-pyrazol-4-yl)methylene]-1,3-dimethyl-](/api/spectrum/BA72REV2RAN/structure.png?h=300&w=458 "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(1-ethyl-1H-pyrazol-4-yl)methylene]-1,3-dimethyl-")
| SpectraBase Compound ID | 4AOfb0mVzyS |
|---|---|
| InChI | InChI=1S/C12H14N4O3/c1-4-16-7-8(6-13-16)5-9-10(17)14(2)12(19)15(3)11(9)18/h5-7H,4H2,1-3H3 |
| InChIKey | HYYHYCKLJMPHPM-UHFFFAOYSA-N |
| Mol Weight | 262.27 g/mol |
| Molecular Formula | C12H14N4O3 |
| Exact Mass | 262.10659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BA72REV2RAN |
|---|---|
| Name | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(1-ethyl-1H-pyrazol-4-yl)methylene]-1,3-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.106590324 u |
| Formula | C12H14N4O3 |
| InChI | InChI=1S/C12H14N4O3/c1-4-16-7-8(6-13-16)5-9-10(17)14(2)12(19)15(3)11(9)18/h5-7H,4H2,1-3H3 |
| InChIKey | HYYHYCKLJMPHPM-UHFFFAOYSA-N |
| SMILES | C=1(C=NN(CC)C1)C=C1C(N(C(=O)N(C1=O)C)C)=O |