| SpectraBase Compound ID | JHHm5Nrdq5s |
|---|---|
| InChI | InChI=1S/C62H62FN4O14PS/c1-39-35-66(59(70)64-57(39)68)55-33-51(80-62(42-15-11-8-12-16-42,45-21-29-49(74-5)30-22-45)46-23-31-50(75-6)32-24-46)54(79-55)38-77-82(63,83)81-52-34-56(67-36-40(2)58(69)65-60(67)71)78-53(52)37-76-61(41-13-9-7-10-14-41,43-17-25-47(72-3)26-18-43)44-19-27-48(73-4)28-20-44/h7-32,35-36,51-56H,33-34,37-38H2,1-6H3,(H,64,68,70)(H,65,69,71)/t51-,52-,53+,54+,55+,56+,82?/m1/s1 |
| InChIKey | CQBDMBCQAVSWPU-SNZAHXMJSA-N |
| Mol Weight | 1169.2 g/mol |
| Molecular Formula | C62H62FN4O14PS |
| Exact Mass | 1168.370489 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AplSzJdZDs1 |
|---|---|
| Name | 3',5'-O,O-BIS-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-PHOSPHOROTHIOFLUORIDATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H62FN4O14PS |
| InChI | InChI=1S/C62H62FN4O14PS/c1-39-35-66(59(70)64-57(39)68)55-33-51(80-62(42-15-11-8-12-16-42,45-21-29-49(74-5)30-22-45)46-23-31-50(75-6)32-24-46)54(79-55)38-77-82(63,83)81-52-34-56(67-36-40(2)58(69)65-60(67)71)78-53(52)37-76-61(41-13-9-7-10-14-41,43-17-25-47(72-3)26-18-43)44-19-27-48(73-4)28-20-44/h7-32,35-36,51-56H,33-34,37-38H2,1-6H3,(H,64,68,70)(H,65,69,71)/t51-,52-,53+,54+,55+,56+,82?/m1/s1 |
| InChIKey | CQBDMBCQAVSWPU-SNZAHXMJSA-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 | CHCl3 |
| Source File Reference | UWSI21103 |