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5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-(N,N-DIISOPROPYLAMINO)-[2-[[(PHENYLAMINO)-THIOXOMETHYL]-AMINO]-ETHOXY]-PHOSPHINYL-2'-DEOXYTHYMIDINE;FAST-DIASTERE
SpectraBase Compound ID 1BEg71ZgbBp
InChI InChI=1S/C46H56N5O8PS/c1-31(2)51(32(3)4)60(57-27-26-47-44(61)48-37-16-12-9-13-17-37)59-40-28-42(50-29-33(5)43(52)49-45(50)53)58-41(40)30-56-46(34-14-10-8-11-15-34,35-18-22-38(54-6)23-19-35)36-20-24-39(55-7)25-21-36/h8-25,29,31-32,40-42H,26-28,30H2,1-7H3,(H2,47,48,61)(H,49,52,53)/t40-,41+,42+,60?/m1/s1
InChIKey YUEAEEKNNHDPLS-KPXISYQSSA-N
Mol Weight 870.0 g/mol
Molecular Formula C46H56N5O8PS
Exact Mass 869.358722 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzMrcTNG8Cc
Name 5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-(N,N-DIISOPROPYLAMINO)-[2-[[(PHENYLAMINO)-THIOXOMETHYL]-AMINO]-ETHOXY]-PHOSPHINYL-2'-DEOXYTHYMIDINE;FAST-DIASTERE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H56N5O8PS
InChI InChI=1S/C46H56N5O8PS/c1-31(2)51(32(3)4)60(57-27-26-47-44(61)48-37-16-12-9-13-17-37)59-40-28-42(50-29-33(5)43(52)49-45(50)53)58-41(40)30-56-46(34-14-10-8-11-15-34,35-18-22-38(54-6)23-19-35)36-20-24-39(55-7)25-21-36/h8-25,29,31-32,40-42H,26-28,30H2,1-7H3,(H2,47,48,61)(H,49,52,53)/t40-,41+,42+,60?/m1/s1
InChIKey YUEAEEKNNHDPLS-KPXISYQSSA-N
Literature Reference Author A.P.GUZAEV,M.MANOHARAN
Literature Reference Citation J.AM.CHEM.SOC.,123,783(2001)
Literature Reference DOI 10.1021/ja0016396
Solvent CDCl3
Source File Reference UWSI23700