| SpectraBase Compound ID | 2USxX4IiGtg |
|---|---|
| InChI | InChI=1S/C14H23N2O9P/c1-4-22-9(3)24-10-5-12(25-11(10)7-23-26(19,20)21)16-6-8(2)13(17)15-14(16)18/h6,9-12H,4-5,7H2,1-3H3,(H,15,17,18)(H2,19,20,21)/p-2/t9?,10-,11+,12+/m1/s1 |
| InChIKey | GWYKQENEPYWLRA-WSWARRKISA-L |
| Mol Weight | 392.3 g/mol |
| Molecular Formula | C14H21N2O9P |
| Exact Mass | 392.098467 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18o4MlpfiAY |
|---|---|
| Name | 3'-o-(1-Ethoxyethyl)-2'-deoxy-alpha-D-ribofuranosylthymine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.098467253 u |
| Formula | C14H21N2O9P |
| InChI | InChI=1S/C14H23N2O9P/c1-4-22-9(3)24-10-5-12(25-11(10)7-23-26(19,20)21)16-6-8(2)13(17)15-14(16)18/h6,9-12H,4-5,7H2,1-3H3,(H,15,17,18)(H2,19,20,21)/p-2/t9?,10-,11+,12+/m1/s1 |
| InChIKey | GWYKQENEPYWLRA-WSWARRKISA-L |
| Molecular Weight | 392.301 g/mol |
| SMILES | [C@]1(O[C@]([C@@](C1)(OC(C)OCC)[H])(COP(=O)([O-])[O-])[H])(N1C(=O)NC(=O)C(C)=C1)[H] |