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DIETHYL-2-[(3S*,4S*)-4-[(6-CHLORO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-3-FURANYL]-1,1-DIFLUOROETHYLPHOSPHONATE
SpectraBase Compound ID Hca7IhPpEMc
InChI InChI=1S/C16H22ClF2N4O4P/c1-3-26-28(24,27-4-2)16(18,19)5-11-7-25-8-12(11)6-23-10-22-13-14(17)20-9-21-15(13)23/h9-12H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKey RVPDGYDEOAWKNT-NWDGAFQWSA-N
Mol Weight 438.8 g/mol
Molecular Formula C16H22ClF2N4O4P
Exact Mass 438.103526 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2I1TNB8MNF
Name DIETHYL-2-[(3S*,4S*)-4-[(6-CHLORO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-3-FURANYL]-1,1-DIFLUOROETHYLPHOSPHONATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22ClF2N4O4P
InChI InChI=1S/C16H22ClF2N4O4P/c1-3-26-28(24,27-4-2)16(18,19)5-11-7-25-8-12(11)6-23-10-22-13-14(17)20-9-21-15(13)23/h9-12H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKey RVPDGYDEOAWKNT-NWDGAFQWSA-N
Literature Reference Author T.YOKOMATSU,Y.HAYAKAWA,T.KIHARA,S.KOYANAGI,S.SOEDA,H.SHIMENO ,S.SHIBUYA
Literature Reference Citation BIOORG.MED.CHEM.,8,2571(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00192-9
Solvent CDCl3
Source File Reference UWVN20457