| SpectraBase Compound ID | DDhsfbimtOK |
|---|---|
| InChI | InChI=1S/C17H17F3N4O8/c1-6(25)29-4-9-11(30-7(2)26)12(31-8(3)27)15(32-9)24-13-10(14(28)22-5-21-13)23-16(24)17(18,19)20/h5,9,11-12,15H,4H2,1-3H3,(H,21,22,28)/t9-,11-,12-,15-/m0/s1 |
| InChIKey | HVMZZOPURHGVIH-OXUWNYNTSA-N |
| Mol Weight | 462.34 g/mol |
| Molecular Formula | C17H17F3N4O8 |
| Exact Mass | 462.099848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsrTdc8hlA5 |
|---|---|
| Name | 2',3',5'-tri-o-Acetyl-8-(trifluoromethyl)-inosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.099848004 u |
| Formula | C17H17F3N4O8 |
| InChI | InChI=1S/C17H17F3N4O8/c1-6(25)29-4-9-11(30-7(2)26)12(31-8(3)27)15(32-9)24-13-10(14(28)22-5-21-13)23-16(24)17(18,19)20/h5,9,11-12,15H,4H2,1-3H3,(H,21,22,28)/t9-,11-,12-,15-/m0/s1 |
| InChIKey | HVMZZOPURHGVIH-OXUWNYNTSA-N |
| Molecular Weight | 462.338 g/mol |
| SMILES | C1=2N(C(=NC2C(=O)NC=N1)C(F)(F)F)[C@@]1([C@]([C@@](OC(=O)C)([C@@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H] |