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5'-DIMETHOXYTRITYLTHYMIDINE-3'-(4-METHOXYPYRIDINIO)(PIVALOYL)PHOSPHONATE CATION
SpectraBase Compound ID 6aolYsdaLDw
InChI InChI=1S/C42H46N3O10P/c1-28-26-45(40(48)43-38(28)46)37-25-35(55-56(49,39(47)41(2,3)4)44-23-21-34(52-7)22-24-44)36(54-37)27-53-42(29-11-9-8-10-12-29,30-13-17-32(50-5)18-14-30)31-15-19-33(51-6)20-16-31/h8-24,26,35-37H,25,27H2,1-7H3/p+1/t35-,36+,37+,56?/m0/s1
InChIKey CBWCVAQCVVNOIV-WIVFBTQNSA-O
Mol Weight 784.8 g/mol
Molecular Formula C42H47N3O10P
Exact Mass 784.299907 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4582VtRqut
Name 5'-DIMETHOXYTRITYLTHYMIDINE-3'-(4-METHOXYPYRIDINIO)(PIVALOYL)PHOSPHONATE CATION
Comments , C=0.05M.;WM-500 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H47N3O10P
InChI InChI=1S/C42H46N3O10P/c1-28-26-45(40(48)43-38(28)46)37-25-35(55-56(49,39(47)41(2,3)4)44-23-21-34(52-7)22-24-44)36(54-37)27-53-42(29-11-9-8-10-12-29,30-13-17-32(50-5)18-14-30)31-15-19-33(51-6)20-16-31/h8-24,26,35-37H,25,27H2,1-7H3/p+1/t35-,36+,37+,56?/m0/s1
InChIKey CBWCVAQCVVNOIV-WIVFBTQNSA-O
Instrument Name SEE COMMENT
Literature Reference I.YA.DUBEI, V.A.EFIMOV, T.V.LYAPINA, D.M.FEDORYAK (1992)Bioorganich.Khim.(Russ. Lang.): v.18, N7, 911-919.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H3N acetonitrile