| SpectraBase Compound ID | 11c1PMBjwrW |
|---|---|
| InChI | InChI=1S/C14H21N2O8P/c1-4-21-25(20)22-7-11-10(23-9(3)17)5-12(24-11)16-6-8(2)13(18)15-14(16)19/h6,10-12,25H,4-5,7H2,1-3H3,(H,15,18,19)/t10-,11+,12+/m0/s1 |
| InChIKey | ZBCCQIXUKSZUMA-QJPTWQEYSA-N |
| Mol Weight | 376.3 g/mol |
| Molecular Formula | C14H21N2O8P |
| Exact Mass | 376.103553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zGvwBHMXI5 |
|---|---|
| Name | 3'-Acetylthymidine-5'-ethylphosphite (diastereomer mixture) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.103552634 u |
| Formula | C14H21N2O8P |
| InChI | InChI=1S/C14H21N2O8P/c1-4-21-25(20)22-7-11-10(23-9(3)17)5-12(24-11)16-6-8(2)13(18)15-14(16)19/h6,10-12,25H,4-5,7H2,1-3H3,(H,15,18,19)/t10-,11+,12+/m0/s1 |
| InChIKey | ZBCCQIXUKSZUMA-QJPTWQEYSA-N |
| Molecular Weight | 376.302 g/mol |
| SMILES | N1C(C(=CN(C1=O)[C@@]1(O[C@@]([C@](C1)(OC(C)=O)[H])(COP(=O)OCC)[H])[H])C)=O |