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3'-O-ACETYLDEOXYTHYMIDINE-5'-CYANOETHYL(CYCLOHEXYLAMIDO)PHOSPHATE
SpectraBase Compound ID LWWewZnLYGW
InChI InChI=1S/C21H31N4O8P/c1-14-12-25(21(28)23-20(14)27)19-11-17(32-15(2)26)18(33-19)13-31-34(29,30-10-6-9-22)24-16-7-4-3-5-8-16/h12,16-19H,3-8,10-11,13H2,1-2H3,(H,24,29)(H,23,27,28)/t17-,18+,19+,34?/m0/s1
InChIKey GVNDNTIXBUQAFP-JOQRBTQLSA-N
Mol Weight 498.47 g/mol
Molecular Formula C21H31N4O8P
Exact Mass 498.187951 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnQppNHMDji
Name 3'-O-ACETYLDEOXYTHYMIDINE-5'-CYANOETHYL(CYCLOHEXYLAMIDO)PHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H31N4O8P
InChI InChI=1S/C21H31N4O8P/c1-14-12-25(21(28)23-20(14)27)19-11-17(32-15(2)26)18(33-19)13-31-34(29,30-10-6-9-22)24-16-7-4-3-5-8-16/h12,16-19H,3-8,10-11,13H2,1-2H3,(H,24,29)(H,23,27,28)/t17-,18+,19+,34?/m0/s1
InChIKey GVNDNTIXBUQAFP-JOQRBTQLSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (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