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5'-O-DIMETHOXYTRITYL-3'-O-METHYLTHIOPHOSPHORYL-2'-DEOXY-N4-BENZOYLCYTIDINE, ANION
SpectraBase Compound ID JBzZ5EL4539
InChI InChI=1S/C38H38N3O9PS/c1-46-30-18-14-28(15-19-30)38(27-12-8-5-9-13-27,29-16-20-31(47-2)21-17-29)48-25-33-32(50-51(44,45)52-3)24-35(49-33)41-23-22-34(40-37(41)43)39-36(42)26-10-6-4-7-11-26/h4-23,32-33,35H,24-25H2,1-3H3,(H,44,45)(H,39,40,42,43)/p-1/t32-,33+,35+/m0/s1
InChIKey VVXFGWAPJGZTMH-VUHKNJSWSA-M
Mol Weight 742.8 g/mol
Molecular Formula C38H37N3O9PS
Exact Mass 742.198813 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRputMBxnmZ
Name 5'-O-DIMETHOXYTRITYL-3'-O-METHYLTHIOPHOSPHORYL-2'-DEOXY-N4-BENZOYLCYTIDINE, ANION
Comments , NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C38H37N3O9PS
InChI InChI=1S/C38H38N3O9PS/c1-46-30-18-14-28(15-19-30)38(27-12-8-5-9-13-27,29-16-20-31(47-2)21-17-29)48-25-33-32(50-51(44,45)52-3)24-35(49-33)41-23-22-34(40-37(41)43)39-36(42)26-10-6-4-7-11-26/h4-23,32-33,35H,24-25H2,1-3H3,(H,44,45)(H,39,40,42,43)/p-1/t32-,33+,35+/m0/s1
InChIKey VVXFGWAPJGZTMH-VUHKNJSWSA-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