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4-CHLORO-3-[2'-DEOXY-3',5'-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTAFURANOSYL]-7-NITRO-3H-IMIDAZO-[4,5-C]-PYRIDINE
SpectraBase Compound ID 22dC71VQVOQ
InChI InChI=1S/C27H23ClN4O7/c1-15-3-7-17(8-4-15)26(33)37-13-21-20(39-27(34)18-9-5-16(2)6-10-18)11-22(38-21)31-14-30-23-19(32(35)36)12-29-25(28)24(23)31/h3-10,12,14,20-22H,11,13H2,1-2H3/t20-,21+,22+/m1/s1
InChIKey BGCWRZDSHGAFJH-FSSWDIPSSA-N
Mol Weight 550.96 g/mol
Molecular Formula C27H23ClN4O7
Exact Mass 550.125527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ6Chihtnsz
Name 4-CHLORO-3-[2'-DEOXY-3',5'-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTAFURANOSYL]-7-NITRO-3H-IMIDAZO-[4,5-C]-PYRIDINE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23ClN4O7
InChI InChI=1S/C27H23ClN4O7/c1-15-3-7-17(8-4-15)26(33)37-13-21-20(39-27(34)18-9-5-16(2)6-10-18)11-22(38-21)31-14-30-23-19(32(35)36)12-29-25(28)24(23)31/h3-10,12,14,20-22H,11,13H2,1-2H3/t20-,21+,22+/m1/s1
InChIKey BGCWRZDSHGAFJH-FSSWDIPSSA-N
Literature Reference Author C.CREY-DESBIOLLES,J.LHOMME,P.DUMY,M.KOTERA
Literature Reference Citation J.AM.CHEM.SOC.,126,9532(2004)
Literature Reference DOI 10.1021/ja047976m
Molecular Weight 550.955 g/mol
Solvent CDCl3
Source File Reference UWLU34920