| SpectraBase Compound ID | IQiaQ8Beym0 |
|---|---|
| InChI | InChI=1S/C13H12F5N5O5/c1-5-3-23(11(26)20-9(5)24)8-2-6(21-22-19)7(28-8)4-27-10(25)12(14,15)13(16,17)18/h3,6-8H,2,4H2,1H3,(H,20,24,26) |
| InChIKey | VPWQNQAYBYSSCB-UHFFFAOYSA-N |
| Mol Weight | 413.26 g/mol |
| Molecular Formula | C13H12F5N5O5 |
| Exact Mass | 413.075859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5shhCMYO7vh |
|---|---|
| Name | Zidovudine P1486 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.075859316 u |
| Formula | C13H12F5N5O5 |
| InChI | InChI=1S/C13H12F5N5O5/c1-5-3-23(11(26)20-9(5)24)8-2-6(21-22-19)7(28-8)4-27-10(25)12(14,15)13(16,17)18/h3,6-8H,2,4H2,1H3,(H,20,24,26) |
| InChIKey | VPWQNQAYBYSSCB-UHFFFAOYSA-N |
| Molecular Weight | 413.261 g/mol |
| SMILES | C1(C(COC(=O)C(F)(F)C(F)(F)F)OC(C1)N1C=C(C(=O)NC1=O)C)N=N#N |