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3',5'-O,O-BIS-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-SE-METHYL-PHOSPHOROTHIOATE
SpectraBase Compound ID 5AVJHGr25EB
InChI InChI=1S/C63H65N4O14PSSe/c1-40-36-66(60(70)64-58(40)68)56-34-52(80-63(43-16-12-9-13-17-43,46-22-30-50(74-5)31-23-46)47-24-32-51(75-6)33-25-47)55(79-56)39-77-82(83,84-7)81-53-35-57(67-37-41(2)59(69)65-61(67)71)78-54(53)38-76-62(42-14-10-8-11-15-42,44-18-26-48(72-3)27-19-44)45-20-28-49(73-4)29-21-45/h8-33,36-37,52-57H,34-35,38-39H2,1-7H3,(H,64,68,70)(H,65,69,71)/t52-,53-,54+,55+,56+,57+,82?/m1/s1
InChIKey YVFOLFHNLXILCJ-QRYJDZCLSA-N
Mol Weight 1244.2 g/mol
Molecular Formula C63H65N4O14PSSe
Exact Mass 1244.312083 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZU2xCjtI6N
Name 3',5'-O,O-BIS-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-SE-METHYL-PHOSPHOROTHIOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H65N4O14PSSe
InChI InChI=1S/C63H65N4O14PSSe/c1-40-36-66(60(70)64-58(40)68)56-34-52(80-63(43-16-12-9-13-17-43,46-22-30-50(74-5)31-23-46)47-24-32-51(75-6)33-25-47)55(79-56)39-77-82(83,84-7)81-53-35-57(67-37-41(2)59(69)65-61(67)71)78-54(53)38-76-62(42-14-10-8-11-15-42,44-18-26-48(72-3)27-19-44)45-20-28-49(73-4)29-21-45/h8-33,36-37,52-57H,34-35,38-39H2,1-7H3,(H,64,68,70)(H,65,69,71)/t52-,53-,54+,55+,56+,57+,82?/m1/s1
InChIKey YVFOLFHNLXILCJ-QRYJDZCLSA-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 UWSI21102