| SpectraBase Compound ID | 53jMMfRvRzh |
|---|---|
| InChI | InChI=1S/C13H12N4O2/c1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19) |
| InChIKey | NGGPQVDOOZWSIG-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C13H12N4O2 |
| Exact Mass | 256.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ahj7MDyixOo |
|---|---|
| Name | Purine-2,6-dione, 7-benzyl-3-methyl-3,7-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.096025640 u |
| Formula | C13H12N4O2 |
| InChI | InChI=1S/C13H12N4O2/c1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19) |
| InChIKey | NGGPQVDOOZWSIG-UHFFFAOYSA-N |
| SMILES | C1=2N(C)C(=O)NC(C2N(CC2=CC=CC=C2)C=N1)=O |