| SpectraBase Compound ID | 6PRJ5WOh4A8 |
|---|---|
| InChI | InChI=1S/C13H14N2O3/c1-13(9-7-5-4-6-8-9)10(16)14(2)12(18)15(3)11(13)17/h4-8H,1-3H3 |
| InChIKey | XWUNPDJNYVBVJA-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C13H14N2O3 |
| Exact Mass | 246.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4m6HyPel1PD |
|---|---|
| Name | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-trimethyl-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.100442316 u |
| Formula | C13H14N2O3 |
| InChI | InChI=1S/C13H14N2O3/c1-13(9-7-5-4-6-8-9)10(16)14(2)12(18)15(3)11(13)17/h4-8H,1-3H3 |
| InChIKey | XWUNPDJNYVBVJA-UHFFFAOYSA-N |
| Molecular Weight | 246.266 g/mol |
| SMILES | C1(=CC=CC=C1)C1(C(N(C(N(C1=O)C)=O)C)=O)C |