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5'-O-DIMETHOXYTRITYL-3'-O-METHYLTHIOPHOSPHORYL-2'-DEOXY-N2-ISOBUTANOYLGUANOSINE, ANION
SpectraBase Compound ID 1Uz2dnZCfHX
InChI InChI=1S/C36H40N5O9PS/c1-22(2)33(42)39-35-38-32-31(34(43)40-35)37-21-41(32)30-19-28(50-51(44,45)52-5)29(49-30)20-48-36(23-9-7-6-8-10-23,24-11-15-26(46-3)16-12-24)25-13-17-27(47-4)18-14-25/h6-18,21-22,28-30H,19-20H2,1-5H3,(H,44,45)(H2,38,39,40,42,43)/p-1/t28-,29+,30+/m0/s1
InChIKey CWWXTEKVEUJKAM-FRXPANAUSA-M
Mol Weight 748.8 g/mol
Molecular Formula C36H39N5O9PS
Exact Mass 748.220611 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEZySWbp5P0
Name 5'-O-DIMETHOXYTRITYL-3'-O-METHYLTHIOPHOSPHORYL-2'-DEOXY-N2-ISOBUTANOYLGUANOSINE, ANION
Comments , NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H39N5O9PS
InChI InChI=1S/C36H40N5O9PS/c1-22(2)33(42)39-35-38-32-31(34(43)40-35)37-21-41(32)30-19-28(50-51(44,45)52-5)29(49-30)20-48-36(23-9-7-6-8-10-23,24-11-15-26(46-3)16-12-24)25-13-17-27(47-4)18-14-25/h6-18,21-22,28-30H,19-20H2,1-5H3,(H,44,45)(H2,38,39,40,42,43)/p-1/t28-,29+,30+/m0/s1
InChIKey CWWXTEKVEUJKAM-FRXPANAUSA-M
Instrument Name Bruker HX-90
Literature Reference V.P.KUMAREV, L.V.BARANOVA, V.S.BOGACHEV, A.V.LEBEDEV, L.V.OBUKHOVA (1986)Bioorganich.Khim.(Russ. Lang.): v.12, N10, 1348-1358.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported