| SpectraBase Compound ID | B65CmkKF7l |
|---|---|
| InChI | InChI=1S/C10H15N2O5PS/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18(15)19/h4,7-8,18H,2-3,5H2,1H3,(H,15,19)(H,11,13,14)/t7-,8+/m0/s1 |
| InChIKey | BAECYJUHKWIMQB-JGVFFNPUSA-N |
| Mol Weight | 306.27 g/mol |
| Molecular Formula | C10H15N2O5PS |
| Exact Mass | 306.04393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gZwWo3NMCc |
|---|---|
| Name | 3'-Deoxythymidine-5'-H-thiophosphonate (diastereomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.043929758 u |
| Formula | C10H15N2O5PS |
| InChI | InChI=1S/C10H15N2O5PS/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18(15)19/h4,7-8,18H,2-3,5H2,1H3,(H,15,19)(H,11,13,14)/t7-,8+/m0/s1 |
| InChIKey | BAECYJUHKWIMQB-JGVFFNPUSA-N |
| Molecular Weight | 306.273 g/mol |
| SMILES | N1C(C(=CN([C@]2(CC[C@@](COP(O)=S)(O2)[H])[H])C1=O)C)=O |