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3',5'-O,O-BIS-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-PHOSPHOROFLUORIDATE
SpectraBase Compound ID 3PLl4WWMn9r
InChI InChI=1S/C62H62FN4O15P/c1-39-35-66(59(70)64-57(39)68)55-33-51(81-62(42-15-11-8-12-16-42,45-21-29-49(75-5)30-22-45)46-23-31-50(76-6)32-24-46)54(80-55)38-78-83(63,72)82-52-34-56(67-36-40(2)58(69)65-60(67)71)79-53(52)37-77-61(41-13-9-7-10-14-41,43-17-25-47(73-3)26-18-43)44-19-27-48(74-4)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+,83?/m1/s1
InChIKey ABCVXFBALHLXGZ-FQCPSWDQSA-N
Mol Weight 1153.2 g/mol
Molecular Formula C62H62FN4O15P
Exact Mass 1152.393332 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCwQWNcuTLq
Name 3',5'-O,O-BIS-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-PHOSPHOROFLUORIDATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H62FN4O15P
InChI InChI=1S/C62H62FN4O15P/c1-39-35-66(59(70)64-57(39)68)55-33-51(81-62(42-15-11-8-12-16-42,45-21-29-49(75-5)30-22-45)46-23-31-50(76-6)32-24-46)54(80-55)38-78-83(63,72)82-52-34-56(67-36-40(2)58(69)65-60(67)71)79-53(52)37-77-61(41-13-9-7-10-14-41,43-17-25-47(73-3)26-18-43)44-19-27-48(74-4)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+,83?/m1/s1
InChIKey ABCVXFBALHLXGZ-FQCPSWDQSA-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 CD3Cl
Source File Reference UWSI21100