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P,P'-DIANILIDO-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID IVHBpGp5Mml
InChI InChI=1S/C36H42N6O15P2/c1-21-17-41(35(47)37-33(21)45)31-15-27(53-23(3)43)29(55-31)19-51-58(49,39-25-11-7-5-8-12-25)57-59(50,40-26-13-9-6-10-14-26)52-20-30-28(54-24(4)44)16-32(56-30)42-18-22(2)34(46)38-36(42)48/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,39,49)(H,40,50)(H,37,45,47)(H,38,46,48)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1
InChIKey XHOJYVOEZQEMCL-AEESIQKCSA-N
Mol Weight 860.7 g/mol
Molecular Formula C36H42N6O15P2
Exact Mass 860.218339 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lamjt0jfHfU
Name P,P'-DIANILIDO-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE(DIASTEREOMER MIXTURE)
Comments , -7.0:-7.4 - RANGE. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H42N6O15P2
InChI InChI=1S/C36H42N6O15P2/c1-21-17-41(35(47)37-33(21)45)31-15-27(53-23(3)43)29(55-31)19-51-58(49,39-25-11-7-5-8-12-25)57-59(50,40-26-13-9-6-10-14-26)52-20-30-28(54-24(4)44)16-32(56-30)42-18-22(2)34(46)38-36(42)48/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,39,49)(H,40,50)(H,37,45,47)(H,38,46,48)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1
InChIKey XHOJYVOEZQEMCL-AEESIQKCSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine