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5'-DIMETHOXYTRITYLTHYMIDINE-3'-(N-METHYLIMIDAZOLINIO)(PIVALOYL)PHOSPHONATE CATION
SpectraBase Compound ID 8ayCSK8KEQN
InChI InChI=1S/C40H45N4O9P/c1-27-24-44(38(47)41-36(27)45)35-23-33(53-54(48,37(46)39(2,3)4)43-22-21-42(5)26-43)34(52-35)25-51-40(28-11-9-8-10-12-28,29-13-17-31(49-6)18-14-29)30-15-19-32(50-7)20-16-30/h8-22,24,26,33-35H,23,25H2,1-7H3/p+1/t33-,34+,35+,54?/m0/s1
InChIKey UEULRWUKQBDTOS-APSYFWAPSA-O
Mol Weight 757.8 g/mol
Molecular Formula C40H46N4O9P
Exact Mass 757.300241 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJZApt3pAFT
Name 5'-DIMETHOXYTRITYLTHYMIDINE-3'-(N-METHYLIMIDAZOLINIO)(PIVALOYL)PHOSPHONATE CATION
Comments , C=0.05M.;WM-500 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H46N4O9P
InChI InChI=1S/C40H45N4O9P/c1-27-24-44(38(47)41-36(27)45)35-23-33(53-54(48,37(46)39(2,3)4)43-22-21-42(5)26-43)34(52-35)25-51-40(28-11-9-8-10-12-28,29-13-17-31(49-6)18-14-29)30-15-19-32(50-7)20-16-30/h8-22,24,26,33-35H,23,25H2,1-7H3/p+1/t33-,34+,35+,54?/m0/s1
InChIKey UEULRWUKQBDTOS-APSYFWAPSA-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