![Adenosine, N(6)-[3-trifluoromethylbenzyl]-2',3'-o-isopropylidene-](/api/spectrum/9TrwgmIx0CY/structure.png?h=300&w=458 "Adenosine, N(6)-[3-trifluoromethylbenzyl]-2',3'-o-isopropylidene-")
| SpectraBase Compound ID | 7CzmUC8pFTL |
|---|---|
| InChI | InChI=1S/C22H23F3N6O4/c1-21(2)34-14-15(19(32)26-3)33-20(16(14)35-21)31-10-30-13-17(28-9-29-18(13)31)27-8-11-5-4-6-12(7-11)22(23,24)25/h4-7,9-10,14-16,20H,8H2,1-3H3,(H,26,32)(H,27,28,29)/t14-,15+,16-,20-/m1/s1 |
| InChIKey | PHNHBCLMNYTPJB-UIVXKWKOSA-N |
| Mol Weight | 492.46 g/mol |
| Molecular Formula | C22H23F3N6O4 |
| Exact Mass | 492.173288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TrwgmIx0CY |
|---|---|
| Name | Adenosine, N(6)-[3-trifluoromethylbenzyl]-2',3'-o-isopropylidene- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 492.173287730 u |
| Formula | C22H23F3N6O4 |
| InChI | InChI=1S/C22H23F3N6O4/c1-21(2)34-14-15(19(32)26-3)33-20(16(14)35-21)31-10-30-13-17(28-9-29-18(13)31)27-8-11-5-4-6-12(7-11)22(23,24)25/h4-7,9-10,14-16,20H,8H2,1-3H3,(H,26,32)(H,27,28,29)/t14-,15+,16-,20-/m1/s1 |
| InChIKey | PHNHBCLMNYTPJB-UIVXKWKOSA-N |
| Molecular Weight | 492.459 g/mol |
| SMILES | C1=NC2=C(N1[C@@]1(O[C@@]([C@]3(OC(C)(C)O[C@@]13[H])[H])(C(NC)=O)[H])[H])N=CN=C2NCC1=CC=CC(=C1)C(F)(F)F |