| SpectraBase Compound ID | DHw4v5o9U5j |
|---|---|
| InChI | InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16) |
| InChIKey | PJMZAQWLPMVOMG-UHFFFAOYSA-N |
| Mol Weight | 290.71 g/mol |
| Molecular Formula | C13H11ClN4O2 |
| Exact Mass | 290.057053 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HbHqCi2AvD |
|---|---|
| Name | 8-(4-Chlorophenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.057053308 u |
| Formula | C13H11ClN4O2 |
| InChI | InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16) |
| InChIKey | PJMZAQWLPMVOMG-UHFFFAOYSA-N |
| SMILES | N1C(=NC2=C1C(N(C(N2C)=O)C)=O)C1=CC=C(C=C1)Cl |