| SpectraBase Compound ID | 7alNIRSDFJ6 |
|---|---|
| InChI | InChI=1S/C9H10N8O2/c1-15-7-6(8(18)16(2)9(15)19)17(4-10-7)3-5-11-13-14-12-5/h4H,3H2,1-2H3,(H,11,12,13,14) |
| InChIKey | DXBIWYHUFMRFBF-UHFFFAOYSA-N |
| Mol Weight | 262.23 g/mol |
| Molecular Formula | C9H10N8O2 |
| Exact Mass | 262.092672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFERg7EoE3e |
|---|---|
| Name | 1,3-Dimethyl-7-(2H-tetraazol-5-ylmethyl)-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 | 262.092671592 u |
| Formula | C9H10N8O2 |
| InChI | InChI=1S/C9H10N8O2/c1-15-7-6(8(18)16(2)9(15)19)17(4-10-7)3-5-11-13-14-12-5/h4H,3H2,1-2H3,(H,11,12,13,14) |
| InChIKey | DXBIWYHUFMRFBF-UHFFFAOYSA-N |
| SMILES | N1N=NC(=N1)CN1C2=C(N(C(N(C)C2=O)=O)C)N=C1 |