| SpectraBase Compound ID | KUSnaYIJdDJ |
|---|---|
| InChI | InChI=1S/2C20H26FN4O10PS/c2*1-9-5-24(19(30)22-17(9)28)15-3-11(27)14(34-15)8-32-36(21,37)35-12-4-16(33-13(12)7-26)25-6-10(2)18(29)23-20(25)31/h2*5-6,11-16,26-27H,3-4,7-8H2,1-2H3,(H,22,28,30)(H,23,29,31)/t2*11-,12+,13-,14+,15+,16-,36?/m00/s1 |
| InChIKey | ICPOISXZQQZSEM-DDNZWLPNSA-N |
| Mol Weight | 1128.96 g/mol |
| Molecular Formula | C40H52F2N8O20P2S2 |
| Exact Mass | 1128.218259 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XtNaJZNd6A |
|---|---|
| Name | DITHYMIDYLYL-3',5'-PHOSPHOROTHIOFLUORIDATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52F2N8O20P2S2 |
| InChI | InChI=1S/2C20H26FN4O10PS/c2*1-9-5-24(19(30)22-17(9)28)15-3-11(27)14(34-15)8-32-36(21,37)35-12-4-16(33-13(12)7-26)25-6-10(2)18(29)23-20(25)31/h2*5-6,11-16,26-27H,3-4,7-8H2,1-2H3,(H,22,28,30)(H,23,29,31)/t2*11-,12+,13-,14+,15+,16-,36?/m00/s1 |
| InChIKey | ICPOISXZQQZSEM-DDNZWLPNSA-N |
| Literature Reference Author | K.MISIURA,D.SZYMANOWICZ,H.KUSNIERCZYK |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,1525(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00025-6 |
| Solvent | CDCl3:C2H5OH=3:1 |
| Source File Reference | UWSI21104 |