| SpectraBase Compound ID | 6vMlsoRlSCr |
|---|---|
| InChI | InChI=1S/C12H17N2O8P.C5H5N/c1-6-4-14(12(17)13-11(6)16)10-3-8(21-7(2)15)9(22-10)5-20-23(18)19;1-2-4-6-5-3-1/h4,8-10,23H,3,5H2,1-2H3,(H,18,19)(H,13,16,17);1-5H/t8-,9+,10+;/m0./s1 |
| InChIKey | GYODGBPARMERMZ-HHDYSPPTSA-N |
| Mol Weight | 427.35 g/mol |
| Molecular Formula | C17H22N3O8P |
| Exact Mass | 427.114452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H01XfJqlOVi |
|---|---|
| Name | 3'-Acetylthymidine-5'-phosphite, pyridinium salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 427.114451670 u |
| Formula | C17H22N3O8P |
| InChI | InChI=1S/C12H17N2O8P.C5H5N/c1-6-4-14(12(17)13-11(6)16)10-3-8(21-7(2)15)9(22-10)5-20-23(18)19;1-2-4-6-5-3-1/h4,8-10,23H,3,5H2,1-2H3,(H,18,19)(H,13,16,17);1-5H/t8-,9+,10+;/m0./s1 |
| InChIKey | GYODGBPARMERMZ-HHDYSPPTSA-N |
| Molecular Weight | 427.350 g/mol |
| SMILES | c1[nH+]cccc1.N1C(C(=CN(C1=O)[C@@]1(O[C@@]([C@](C1)(OC(C)=O)[H])(COP(=O)[O-])[H])[H])C)=O |