| SpectraBase Compound ID | Ejg8WqYH8Z9 |
|---|---|
| InChI | InChI=1S/C13H16N2O7/c1-2-3-8(16)21-5-7-9(17)10(18)11(22-7)6-4-14-13(20)15-12(6)19/h2-4,7,9-11,17-18H,5H2,1H3,(H2,14,15,19,20)/b3-2+/t7-,9-,10-,11?/m0/s1 |
| InChIKey | NXJNEIIJDBTKDU-XOZIDADRSA-N |
| Mol Weight | 312.28 g/mol |
| Molecular Formula | C13H16N2O7 |
| Exact Mass | 312.095751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tCeug5yfz5 |
|---|---|
| Name | 1-Uracil-5-ribofuranosyl 2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.095750856 u |
| Formula | C13H16N2O7 |
| InChI | InChI=1S/C13H16N2O7/c1-2-3-8(16)21-5-7-9(17)10(18)11(22-7)6-4-14-13(20)15-12(6)19/h2-4,7,9-11,17-18H,5H2,1H3,(H2,14,15,19,20)/b3-2+/t7-,9-,10-,11?/m0/s1 |
| InChIKey | NXJNEIIJDBTKDU-XOZIDADRSA-N |
| Molecular Weight | 312.278 g/mol |
| SMILES | C=1(C2O[C@@](COC(\C=C\C)=O)([C@@]([C@@]2(O)[H])(O)[H])[H])C(NC(NC1)=O)=O |