| SpectraBase Compound ID | 5u1ZkRKyNl6 |
|---|---|
| InChI | InChI=1S/C9H12N4O3/c1-5(14)3-13-4-10-7-6(13)8(15)11-9(16)12(7)2/h4-5,14H,3H2,1-2H3,(H,11,15,16) |
| InChIKey | DUPRHONHXHRYAA-UHFFFAOYSA-N |
| Mol Weight | 224.22 g/mol |
| Molecular Formula | C9H12N4O3 |
| Exact Mass | 224.09094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HauU3WwdpXJ |
|---|---|
| Name | 7-(2-Hydroxypropyl)-3-methyl-1H-purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.090940259 u |
| Formula | C9H12N4O3 |
| InChI | InChI=1S/C9H12N4O3/c1-5(14)3-13-4-10-7-6(13)8(15)11-9(16)12(7)2/h4-5,14H,3H2,1-2H3,(H,11,15,16) |
| InChIKey | DUPRHONHXHRYAA-UHFFFAOYSA-N |
| Molecular Weight | 224.220 g/mol |
| SMILES | C12=C(C(=O)NC(N2C)=O)N(CC(C)O)C=N1 |