![2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-[(2-methylphenyl)methylene]-](/api/spectrum/CTbLBNGjENs/structure.png?h=300&w=458 "2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-[(2-methylphenyl)methylene]-")
| SpectraBase Compound ID | LRcKE2lTtwb |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c1-9-6-4-5-7-10(9)8-11-12(17)15(2)14(19)16(3)13(11)18/h4-8H,1-3H3 |
| InChIKey | WUXHTMYBCAORAK-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H14N2O3 |
| Exact Mass | 258.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTbLBNGjENs |
|---|---|
| Name | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-[(2-methylphenyl)methylene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.100442316 u |
| Formula | C14H14N2O3 |
| InChI | InChI=1S/C14H14N2O3/c1-9-6-4-5-7-10(9)8-11-12(17)15(2)14(19)16(3)13(11)18/h4-8H,1-3H3 |
| InChIKey | WUXHTMYBCAORAK-UHFFFAOYSA-N |
| SMILES | C1(N(C(N(C(C1=CC1=C(C=CC=C1)C)=O)C)=O)C)=O |