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N-Benzoyldeoxyadenosine-5'-cyanoethylphosphate
SpectraBase Compound ID HY3YuApp23g
InChI InChI=1S/C20H21N6O7P/c21-7-4-8-31-34(29,30)32-10-15-14(27)9-16(33-15)26-12-24-17-18(22-11-23-19(17)26)25-20(28)13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,27H,4,8-10H2,(H,29,30)(H,22,23,25,28)/t14-,15+,16+/m0/s1
InChIKey WDOSVDGPOMVXSB-ARFHVFGLSA-N
Mol Weight 488.4 g/mol
Molecular Formula C20H21N6O7P
Exact Mass 488.120934 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7AxSoKFhQO
Name N-BENZOYLDEOXYADENOSINE-5'-CYANOETHYLPHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
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Formula C20H21N6O7P
InChI InChI=1S/C20H21N6O7P/c21-7-4-8-31-34(29,30)32-10-15-14(27)9-16(33-15)26-12-24-17-18(22-11-23-19(17)26)25-20(28)13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,27H,4,8-10H2,(H,29,30)(H,22,23,25,28)/t14-,15+,16+/m0/s1
InChIKey WDOSVDGPOMVXSB-ARFHVFGLSA-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