John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6y3T1A46XjP SpectraBase Spectrum ID=281hy73ystH

(accessed ).
DIETHYL-2-[(3S*,4S*)-3-[(6-CHLORO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-2H-PYRAN-4-YL]-1,1-DIFLUOROETHYLPHOSPHONATE
SpectraBase Compound ID 6y3T1A46XjP
InChI InChI=1S/C17H24ClF2N4O4P/c1-3-27-29(25,28-4-2)17(19,20)7-12-5-6-26-9-13(12)8-24-11-23-14-15(18)21-10-22-16(14)24/h10-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKey CNZMWDBHEWSFEW-CHWSQXEVSA-N
Mol Weight 452.83 g/mol
Molecular Formula C17H24ClF2N4O4P
Exact Mass 452.119178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 281hy73ystH
Name DIETHYL-2-[(3S*,4S*)-3-[(6-CHLORO-9H-PURIN-9-YL)-METHYL]-TETRAHYDRO-2H-PYRAN-4-YL]-1,1-DIFLUOROETHYLPHOSPHONATE
Compound Number 13B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24ClF2N4O4P
InChI InChI=1S/C17H24ClF2N4O4P/c1-3-27-29(25,28-4-2)17(19,20)7-12-5-6-26-9-13(12)8-24-11-23-14-15(18)21-10-22-16(14)24/h10-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKey CNZMWDBHEWSFEW-CHWSQXEVSA-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
Molecular Weight 452.826 g/mol
Solvent CDCl3
Source File Reference UWVN20458
SpectraBase Batch ID 2M9rmwTn4OY