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_id
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C3w0xyo0yuu
spectrumID
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C3w0xyo0yuu
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analyticalTechnique
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31P NMR
analyticalTechniqueLongName
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31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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p,p'-Diphenyl-p,p'-bis(3'-o-acetyldeoxythymidin-5'-yl)pyrophosphate(diastereomer mixture)
SpectraBase Compound ID 6Ggs97dChtI
InChI InChI=1S/C36H40N4O17P2/c1-21-17-39(35(45)37-33(21)43)31-15-27(51-23(3)41)29(53-31)19-49-58(47,55-25-11-7-5-8-12-25)57-59(48,56-26-13-9-6-10-14-26)50-20-30-28(52-24(4)42)16-32(54-30)40-18-22(2)34(44)38-36(40)46/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,37,43,45)(H,38,44,46)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1
InChIKey DTZFTLPFPRDZNS-AEESIQKCSA-N
Mol Weight 862.7 g/mol
Molecular Formula C36H40N4O17P2
Exact Mass 862.18637 g/mol
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31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3w0xyo0yuu
Name P,P'-DIPHENYL-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C36H40N4O17P2
InChI InChI=1S/C36H40N4O17P2/c1-21-17-39(35(45)37-33(21)43)31-15-27(51-23(3)41)29(53-31)19-49-58(47,55-25-11-7-5-8-12-25)57-59(48,56-26-13-9-6-10-14-26)50-20-30-28(52-24(4)42)16-32(54-30)40-18-22(2)34(44)38-36(40)46/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,37,43,45)(H,38,44,46)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1
InChIKey DTZFTLPFPRDZNS-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 CH2Cl2 methylene chl
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