| SpectraBase Compound ID | 9tkjXvsVneU |
|---|---|
| InChI | InChI=1S/C10H13IN2O5/c1-17-8-5(4-11)18-9(7(8)15)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4H2,1H3,(H,12,14,16)/t5-,7+,8-,9-/m1/s1 |
| InChIKey | DQKVGHVLTXSGRJ-VCGXYPBASA-N |
| Mol Weight | 368.13 g/mol |
| Molecular Formula | C10H13IN2O5 |
| Exact Mass | 367.986917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1unQpxXOLkF |
|---|---|
| Name | 1-(5-Deoxy-5-iodo-3-o-methyl-,beta.D-arabinofuranosyl)uracil |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.986916522 u |
| Formula | C10H13IN2O5 |
| InChI | InChI=1S/C10H13IN2O5/c1-17-8-5(4-11)18-9(7(8)15)13-3-2-6(14)12-10(13)16/h2-3,5,7-9,15H,4H2,1H3,(H,12,14,16)/t5-,7+,8-,9-/m1/s1 |
| InChIKey | DQKVGHVLTXSGRJ-VCGXYPBASA-N |
| Molecular Weight | 368.127 g/mol |
| SMILES | [C@@]1(N2C(NC(C=C2)=O)=O)([C@]([C@](OC)([C@](O1)(CI)[H])[H])(O)[H])[H] |