| SpectraBase Compound ID | J34xaMCrNgW |
|---|---|
| InChI | InChI=1S/C13H13N5O3/c1-16-9-10(17(2)13(20)18(3)11(9)19)15-12(16)21-8-6-4-5-7-14-8/h4-7H,1-3H3 |
| InChIKey | CADFKCJQFVUSKS-UHFFFAOYSA-N |
| Mol Weight | 287.28 g/mol |
| Molecular Formula | C13H13N5O3 |
| Exact Mass | 287.101839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArJIaZ5aZuk |
|---|---|
| Name | 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(2-pyridinyloxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.101839296 u |
| Formula | C13H13N5O3 |
| InChI | InChI=1S/C13H13N5O3/c1-16-9-10(17(2)13(20)18(3)11(9)19)15-12(16)21-8-6-4-5-7-14-8/h4-7H,1-3H3 |
| InChIKey | CADFKCJQFVUSKS-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=N1)OC=1N(C=2C(N(C(=O)N(C2N1)C)C)=O)C |