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4-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-5-METHYL-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID 6vUS8yWlyBX
InChI InChI=1S/C28H26ClN3O5/c1-16-4-8-19(9-5-16)27(33)35-14-22-21(37-28(34)20-10-6-17(2)7-11-20)12-23(36-22)32-13-18(3)24-25(29)30-15-31-26(24)32/h4-11,13,15,21-23H,12,14H2,1-3H3/t21-,22+,23+/m1/s1
InChIKey AFNHKDCGCIETBH-VJBWXMMDSA-N
Mol Weight 519.99 g/mol
Molecular Formula C28H26ClN3O5
Exact Mass 519.156099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4GZxi3yis0
Name 4-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-5-METHYL-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26ClN3O5
InChI InChI=1S/C28H26ClN3O5/c1-16-4-8-19(9-5-16)27(33)35-14-22-21(37-28(34)20-10-6-17(2)7-11-20)12-23(36-22)32-13-18(3)24-25(29)30-15-31-26(24)32/h4-11,13,15,21-23H,12,14H2,1-3H3/t21-,22+,23+/m1/s1
InChIKey AFNHKDCGCIETBH-VJBWXMMDSA-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 519.985 g/mol
Solvent DMSO-D6
Source File Reference UWPR1182