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3',5'-O,O-BIS-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-PHOSPHOROTHIOFLUORIDATE
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

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Zhde7bSZwi
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 UWSI21177