| SpectraBase Compound ID | 16HnO8AUojK |
|---|---|
| InChI | InChI=1S/C39H46F3N4O9P/c1-24(2)46(25(3)4)56(52-7)55-34-31(54-35(33(34)44-36(48)39(40,41)42)45-22-21-32(47)43-37(45)49)23-53-38(26-11-9-8-10-12-26,27-13-17-29(50-5)18-14-27)28-15-19-30(51-6)20-16-28/h8-22,24-25,31,33-35H,23H2,1-7H3,(H,44,48)(H,43,47,49)/t31-,33-,34-,35-,56?/m1/s1 |
| InChIKey | GTMCCXULBQYKRZ-AHMLTBJWSA-N |
| Mol Weight | 802.8 g/mol |
| Molecular Formula | C39H46F3N4O9P |
| Exact Mass | 802.295451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81I8vZ0kjr2 |
|---|---|
| Name | 5'-o-Dimethoxytrityl-2'-trifluoroacetamido-2'-deoxyuridine-3'-methyl(diisopropylamido)phosphite |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 802.295450555 u |
| Formula | C39H46F3N4O9P |
| InChI | InChI=1S/C39H46F3N4O9P/c1-24(2)46(25(3)4)56(52-7)55-34-31(54-35(33(34)44-36(48)39(40,41)42)45-22-21-32(47)43-37(45)49)23-53-38(26-11-9-8-10-12-26,27-13-17-29(50-5)18-14-27)28-15-19-30(51-6)20-16-28/h8-22,24-25,31,33-35H,23H2,1-7H3,(H,44,48)(H,43,47,49)/t31-,33-,34-,35-,56?/m1/s1 |
| InChIKey | GTMCCXULBQYKRZ-AHMLTBJWSA-N |
| Molecular Weight | 802.785 g/mol |
| SMILES | N([C@@]1([C@@]([C@](O[C@]1(N1C(NC(C=C1)=O)=O)[H])(COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)[H])(OP(OC)N(C(C)C)C(C)C)[H])[H])C(C(F)(F)F)=O |