| SpectraBase Compound ID | 9ay6VENM7by |
|---|---|
| InChI | InChI=1S/C13H11F5N2O5/c1-6-4-20(11(23)19-9(6)21)8-3-2-7(25-8)5-24-10(22)12(14,15)13(16,17)18/h2-4,7-8H,5H2,1H3,(H,19,21,23) |
| InChIKey | HAXAWIPEKMKJBZ-UHFFFAOYSA-N |
| Mol Weight | 370.23 g/mol |
| Molecular Formula | C13H11F5N2O5 |
| Exact Mass | 370.058812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxfX0mHdTNe |
|---|---|
| Name | Stavudine P1309 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.058812272 u |
| Formula | C13H11F5N2O5 |
| InChI | InChI=1S/C13H11F5N2O5/c1-6-4-20(11(23)19-9(6)21)8-3-2-7(25-8)5-24-10(22)12(14,15)13(16,17)18/h2-4,7-8H,5H2,1H3,(H,19,21,23) |
| InChIKey | HAXAWIPEKMKJBZ-UHFFFAOYSA-N |
| Molecular Weight | 370.232 g/mol |
| SMILES | C=1C(OC(C1)N1C=C(C)C(NC1=O)=O)COC(C(F)(F)C(F)(F)F)=O |