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2-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PURINE
SpectraBase Compound ID 7x6U53TiyAg
InChI InChI=1S/C26H27ClN4O3/c1-17-3-7-19(8-4-17)13-32-15-23-22(33-14-20-9-5-18(2)6-10-20)11-24(34-23)31-16-29-25-21(31)12-28-26(27)30-25/h3-10,12,16,22-24H,11,13-15H2,1-2H3/t22-,23+,24+/m1/s1
InChIKey BIEHZWRBMXXHNL-SGNDLWITSA-N
Mol Weight 478.98 g/mol
Molecular Formula C26H27ClN4O3
Exact Mass 478.177168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fRhXgmycOZ
Name 2-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PURINE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H27ClN4O3
InChI InChI=1S/C26H27ClN4O3/c1-17-3-7-19(8-4-17)13-32-15-23-22(33-14-20-9-5-18(2)6-10-20)11-24(34-23)31-16-29-25-21(31)12-28-26(27)30-25/h3-10,12,16,22-24H,11,13-15H2,1-2H3/t22-,23+,24+/m1/s1
InChIKey BIEHZWRBMXXHNL-SGNDLWITSA-N
Literature Reference Author F.SEELA,Y.CHEN,U.BINDIG,Z.KAZIMIERCZUK
Literature Reference Citation HELV.CHIM.ACTA,77,194(1994)
Literature Reference DOI 10.1002/hlca.19940770122
Molecular Weight 478.978 g/mol
Solvent DMSO-D6
Source File Reference UWVP5358