![N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-2',3'-O-ISOPROPYLIDENE-8-TRIFLUOROMETHYL-INOSINE](/api/spectrum/IYoL3bREvbQ/structure.png?h=300&w=458 "N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-2',3'-O-ISOPROPYLIDENE-8-TRIFLUOROMETHYL-INOSINE")
| SpectraBase Compound ID | QBkfCsyqzw |
|---|---|
| InChI | InChI=1S/C17H23F3N4O13P2/c1-16(2)36-10-8(5-34-39(29,30)31)35-14(11(10)37-16)24-12-9(22-15(24)17(18,19)20)13(25)23(6-21-12)7-32-3-4-33-38(26,27)28/h6,8,10-11,14H,3-5,7H2,1-2H3,(H2,26,27,28)(H2,29,30,31)/t8-,10-,11-,14-/m0/s1 |
| InChIKey | DFFCCNONIPNCCZ-AEHQLWAISA-N |
| Mol Weight | 610.33 g/mol |
| Molecular Formula | C17H23F3N4O13P2 |
| Exact Mass | 610.068895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYoL3bREvbQ |
|---|---|
| Name | N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-2',3'-O-ISOPROPYLIDENE-8-TRIFLUOROMETHYL-INOSINE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H19F3N4O13P2 |
| InChI | InChI=1S/C17H23F3N4O13P2/c1-16(2)36-10-8(5-34-39(29,30)31)35-14(11(10)37-16)24-12-9(22-15(24)17(18,19)20)13(25)23(6-21-12)7-32-3-4-33-38(26,27)28/h6,8,10-11,14H,3-5,7H2,1-2H3,(H2,26,27,28)(H2,29,30,31)/t8-,10-,11-,14-/m0/s1 |
| InChIKey | DFFCCNONIPNCCZ-AEHQLWAISA-N |
| Literature Reference Author | X.HUANG,M.DONG,J.LIU,K.ZHANG,Z.YANG,L.ZHANG,L.ZHANG |
| Literature Reference Citation | MOLECULES,15,8689(2010) |
| Literature Reference DOI | 10.3390/molecules15128689 |
| Molecular Weight | 606.300 g/mol |
| Sample ID | 72705 |
| Solvent | D2O |