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5'-DIMETHOXYTRITYLTHYMIDINE-3'-(4-ETHOXYPYRIDINIO-N-OXY)(PIVALOYL)PHOSPHONATE CATION
SpectraBase Compound ID I2GAhJRScDk
InChI InChI=1S/C43H48N3O11P/c1-8-53-35-22-24-45(25-23-35)57-58(50,40(48)42(3,4)5)56-36-26-38(46-27-29(2)39(47)44-41(46)49)55-37(36)28-54-43(30-12-10-9-11-13-30,31-14-18-33(51-6)19-15-31)32-16-20-34(52-7)21-17-32/h9-25,27,36-38H,8,26,28H2,1-7H3/p+1/t36-,37+,38+,58?/m0/s1
InChIKey SUXNBUKOGMLRJG-MACIYHSTSA-O
Mol Weight 814.8 g/mol
Molecular Formula C43H49N3O11P
Exact Mass 814.310471 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Av64JMG1P5E
Name 5'-DIMETHOXYTRITYLTHYMIDINE-3'-(4-ETHOXYPYRIDINIO-N-OXY)(PIVALOYL)PHOSPHONATE CATION
Comments , C=0.05M.;WM-500 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C43H49N3O11P
InChI InChI=1S/C43H48N3O11P/c1-8-53-35-22-24-45(25-23-35)57-58(50,40(48)42(3,4)5)56-36-26-38(46-27-29(2)39(47)44-41(46)49)55-37(36)28-54-43(30-12-10-9-11-13-30,31-14-18-33(51-6)19-15-31)32-16-20-34(52-7)21-17-32/h9-25,27,36-38H,8,26,28H2,1-7H3/p+1/t36-,37+,38+,58?/m0/s1
InChIKey SUXNBUKOGMLRJG-MACIYHSTSA-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