| SpectraBase Compound ID | BIBsqHfATAc |
|---|---|
| InChI | InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3 |
| InChIKey | ZGIBYCLLIMGXEZ-UHFFFAOYSA-N |
| Mol Weight | 220.23 g/mol |
| Molecular Formula | C10H12N4O2 |
| Exact Mass | 220.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3EKRahpGrM |
|---|---|
| Name | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.096025640 u |
| Formula | C10H12N4O2 |
| InChI | InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3 |
| InChIKey | ZGIBYCLLIMGXEZ-UHFFFAOYSA-N |
| Molecular Weight | 220.232 g/mol |
| SMILES | C12=C(C(=O)N(C(N2C)=O)C)N(CC=C)C=N1 |