| SpectraBase Compound ID | 9dpRR9V3xJa |
|---|---|
| InChI | InChI=1S/C13H19N5O3/c1-8(2)5-14-9(19)6-18-7-15-11-10(18)12(20)17(4)13(21)16(11)3/h7-8H,5-6H2,1-4H3,(H,14,19) |
| InChIKey | PLGUMQLRQZHBBL-UHFFFAOYSA-N |
| Mol Weight | 293.33 g/mol |
| Molecular Formula | C13H19N5O3 |
| Exact Mass | 293.148789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1byH7nh216s |
|---|---|
| Name | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isobutylacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.148789489 u |
| Formula | C13H19N5O3 |
| InChI | InChI=1S/C13H19N5O3/c1-8(2)5-14-9(19)6-18-7-15-11-10(18)12(20)17(4)13(21)16(11)3/h7-8H,5-6H2,1-4H3,(H,14,19) |
| InChIKey | PLGUMQLRQZHBBL-UHFFFAOYSA-N |
| SMILES | N(C(CN1C2=C(N(C(N(C)C2=O)=O)C)N=C1)=O)CC(C)C |