![N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-8-TRIFLUOROMETHYL-INOSINE](/api/spectrum/K9H0rnSJP55/structure.png?h=300&w=458 "N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-8-TRIFLUOROMETHYL-INOSINE")
| SpectraBase Compound ID | 2icE3HjOOXk |
|---|---|
| InChI | InChI=1S/C14H19F3N4O13P2/c15-14(16,17)13-19-7-10(18-4-20(11(7)24)5-31-1-2-32-35(25,26)27)21(13)12-9(23)8(22)6(34-12)3-33-36(28,29)30/h4,6,8-9,12,22-23H,1-3,5H2,(H2,25,26,27)(H2,28,29,30)/t6-,8-,9-,12-/m0/s1 |
| InChIKey | DCLSUZSWOKFTHX-GTBBIVDNSA-N |
| Mol Weight | 570.26 g/mol |
| Molecular Formula | C14H19F3N4O13P2 |
| Exact Mass | 570.037595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9H0rnSJP55 |
|---|---|
| Name | N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-8-TRIFLUOROMETHYL-INOSINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H15F3N4O13P2 |
| InChI | InChI=1S/C14H19F3N4O13P2/c15-14(16,17)13-19-7-10(18-4-20(11(7)24)5-31-1-2-32-35(25,26)27)21(13)12-9(23)8(22)6(34-12)3-33-36(28,29)30/h4,6,8-9,12,22-23H,1-3,5H2,(H2,25,26,27)(H2,28,29,30)/t6-,8-,9-,12-/m0/s1 |
| InChIKey | DCLSUZSWOKFTHX-GTBBIVDNSA-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 | 566.235 g/mol |
| Sample ID | 72706 |
| Solvent | D2O |