| SpectraBase Compound ID | BoUWbotqTVq |
|---|---|
| InChI | InChI=1S/C14H14N4O4/c1-16-10-11(17(2)14(21)18(3)12(10)20)15-13(16)22-9-6-4-8(19)5-7-9/h4-7,19H,1-3H3 |
| InChIKey | SSONDJNKWTWHLL-UHFFFAOYSA-N |
| Mol Weight | 302.29 g/mol |
| Molecular Formula | C14H14N4O4 |
| Exact Mass | 302.101505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1phS5iZv5zJ |
|---|---|
| Name | 8-(4-Hydroxy-phenoxy)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.101504943 u |
| Formula | C14H14N4O4 |
| InChI | InChI=1S/C14H14N4O4/c1-16-10-11(17(2)14(21)18(3)12(10)20)15-13(16)22-9-6-4-8(19)5-7-9/h4-7,19H,1-3H3 |
| InChIKey | SSONDJNKWTWHLL-UHFFFAOYSA-N |
| SMILES | C12=C(C(N(C(N2C)=O)C)=O)N(C)C(=N1)OC1=CC=C(C=C1)O |