| SpectraBase Compound ID | KvKtVZ08fRO |
|---|---|
| InChI | InChI=1S/C10H12N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)4-3-6(15)16/h5H,3-4H2,1-2H3,(H,15,16) |
| InChIKey | ZYUPLDFSBVJNIH-UHFFFAOYSA-N |
| Mol Weight | 252.23 g/mol |
| Molecular Formula | C10H12N4O4 |
| Exact Mass | 252.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fQQCDgGnUO |
|---|---|
| Name | 3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.085854878 u |
| Formula | C10H12N4O4 |
| InChI | InChI=1S/C10H12N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)4-3-6(15)16/h5H,3-4H2,1-2H3,(H,15,16) |
| InChIKey | ZYUPLDFSBVJNIH-UHFFFAOYSA-N |
| SMILES | OC(CCN1C2=C(N(C(N(C)C2=O)=O)C)N=C1)=O |