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5'-DIMETHOXYTRITYLTHYMIDINE-3'-(4-N,N-DIMETHYLAMINOPYRIDINIO)(PIVALOYL)PHOSPHONATE CATION
SpectraBase Compound ID 9LKjppNgYcH
InChI InChI=1S/C43H49N4O9P/c1-29-27-47(41(50)44-39(29)48)38-26-36(56-57(51,40(49)42(2,3)4)46-24-22-33(23-25-46)45(5)6)37(55-38)28-54-43(30-12-10-9-11-13-30,31-14-18-34(52-7)19-15-31)32-16-20-35(53-8)21-17-32/h9-25,27,36-38H,26,28H2,1-8H3/p+1/t36-,37+,38+,57?/m0/s1
InChIKey GHRGZCIALZUHIL-CLOUSOCSSA-O
Mol Weight 797.9 g/mol
Molecular Formula C43H50N4O9P
Exact Mass 797.331541 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F44fCwAb940
Name 5'-DIMETHOXYTRITYLTHYMIDINE-3'-(4-N,N-DIMETHYLAMINOPYRIDINIO)(PIVALOYL)PHOSPHONATE CATION
Comments , C=0.05M.;WM-500 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C43H50N4O9P
InChI InChI=1S/C43H49N4O9P/c1-29-27-47(41(50)44-39(29)48)38-26-36(56-57(51,40(49)42(2,3)4)46-24-22-33(23-25-46)45(5)6)37(55-38)28-54-43(30-12-10-9-11-13-30,31-14-18-34(52-7)19-15-31)32-16-20-35(53-8)21-17-32/h9-25,27,36-38H,26,28H2,1-8H3/p+1/t36-,37+,38+,57?/m0/s1
InChIKey GHRGZCIALZUHIL-CLOUSOCSSA-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