| SpectraBase Compound ID | 1mo8dHuhPFv |
|---|---|
| InChI | InChI=1S/C17H18F3N5O7/c1-6(26)29-4-9-11(30-7(2)27)12(31-8(3)28)15(32-9)25-14-10(13(21)22-5-23-14)24-16(25)17(18,19)20/h5,9,11-12,15H,4H2,1-3H3,(H2,21,22,23)/t9-,11-,12-,15-/m0/s1 |
| InChIKey | CGINBVWZNFCUAM-OXUWNYNTSA-N |
| Mol Weight | 461.35 g/mol |
| Molecular Formula | C17H18F3N5O7 |
| Exact Mass | 461.115832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cwi6hCeaPR1 |
|---|---|
| Name | 2',3',5'-tri-o-Acetyl-8-(trifluoromethyl)-adenosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.115832422 u |
| Formula | C17H18F3N5O7 |
| InChI | InChI=1S/C17H18F3N5O7/c1-6(26)29-4-9-11(30-7(2)27)12(31-8(3)28)15(32-9)25-14-10(13(21)22-5-23-14)24-16(25)17(18,19)20/h5,9,11-12,15H,4H2,1-3H3,(H2,21,22,23)/t9-,11-,12-,15-/m0/s1 |
| InChIKey | CGINBVWZNFCUAM-OXUWNYNTSA-N |
| Molecular Weight | 461.354 g/mol |
| SMILES | C=1(N(C2=C(N1)C(=NC=N2)N)[C@@]1([C@]([C@@](OC(=O)C)([C@@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])C(F)(F)F |