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5-BROMO-4-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID 4GfETe53R4N
InChI InChI=1S/C27H23BrClN3O5/c1-15-3-7-17(8-4-15)26(33)35-13-21-20(37-27(34)18-9-5-16(2)6-10-18)11-22(36-21)32-12-19(28)23-24(29)30-14-31-25(23)32/h3-10,12,14,20-22H,11,13H2,1-2H3/t20-,21+,22+/m1/s1
InChIKey JAWOQQZNQJGMKO-FSSWDIPSSA-N
Mol Weight 584.85 g/mol
Molecular Formula C27H23BrClN3O5
Exact Mass 583.050962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hh93qwCPWmf
Name 5-BROMO-4-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23BrClN3O5
InChI InChI=1S/C27H23BrClN3O5/c1-15-3-7-17(8-4-15)26(33)35-13-21-20(37-27(34)18-9-5-16(2)6-10-18)11-22(36-21)32-12-19(28)23-24(29)30-14-31-25(23)32/h3-10,12,14,20-22H,11,13H2,1-2H3/t20-,21+,22+/m1/s1
InChIKey JAWOQQZNQJGMKO-FSSWDIPSSA-N
Literature Reference Author F.SEELA,H.THOMAS
Literature Reference Citation HELV.CHIM.ACTA,77,897(1994)
Literature Reference DOI 10.1002/hlca.19940770403
Molecular Weight 584.854 g/mol
Solvent DMSO-D6
Source File Reference UWPR1181