| SpectraBase Compound ID | BiuSVEq3Xw9 |
|---|---|
| InChI | InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3 |
| InChIKey | KRVVZPXPQUPXJE-UHFFFAOYSA-N |
| Mol Weight | 208.22 g/mol |
| Molecular Formula | C9H12N4O2 |
| Exact Mass | 208.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbEaK37kEyO |
|---|---|
| Name | 1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.096025640 u |
| Formula | C9H12N4O2 |
| InChI | InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3 |
| InChIKey | KRVVZPXPQUPXJE-UHFFFAOYSA-N |
| Molecular Weight | 208.221 g/mol |
| SMILES | C1(N(C(C2=C(N1C)N=CN2C)=O)CC)=O |