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DITHYMIDINE DIPHOSPHATE, 4-DIMETHYLAMINOPYRIDINE-1-OXIDE DERIVATIVE
SpectraBase Compound ID LBWGttXXej7
InChI InChI=1S/C27H36N6O15P2/c1-15-11-32(26(37)28-24(15)35)22-9-18(34)20(45-22)13-43-49(39,40)47-19-10-23(33-12-16(2)25(36)29-27(33)38)46-21(19)14-44-50(41,42)48-31-7-5-17(6-8-31)30(3)4/h5-8,11-12,18-23,34H,9-10,13-14H2,1-4H3,(H3-,28,29,35,36,37,38,39,40,41,42)/t18-,19-,20+,21+,22+,23+/m0/s1
InChIKey MYSRJACDAWUMBS-ZFPSYYEBSA-N
Mol Weight 746.6 g/mol
Molecular Formula C27H36N6O15P2
Exact Mass 746.171388 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GyPdwrHomd6
Name DITHYMIDINE DIPHOSPHATE, 4-DIMETHYLAMINOPYRIDINE-1-OXIDE DERIVATIVE
Comments , NAME DEFINED, TERMINAL PO4 GROUP MAY BE CONNECTED TO ATOM C5 OF OTHER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H36N6O15P2
InChI InChI=1S/C27H36N6O15P2/c1-15-11-32(26(37)28-24(15)35)22-9-18(34)20(45-22)13-43-49(39,40)47-19-10-23(33-12-16(2)25(36)29-27(33)38)46-21(19)14-44-50(41,42)48-31-7-5-17(6-8-31)30(3)4/h5-8,11-12,18-23,34H,9-10,13-14H2,1-4H3,(H3-,28,29,35,36,37,38,39,40,41,42)/t18-,19-,20+,21+,22+,23+/m0/s1
InChIKey MYSRJACDAWUMBS-ZFPSYYEBSA-N
Instrument Name Bruker HX-90
Literature Reference T.S.GODOVIKOVA, V.F.ZARYTOVA, T.V.MAL'TSEVA, L.M.KHALIMSKAYA (1989)Bioorganich.Khim.(Russ. Lang.): v.15, N9, 1246-1252.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H7NO dimethylforma