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4-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID KWzVM2mACtx
InChI InChI=1S/C27H24ClN3O5/c1-16-3-7-18(8-4-16)26(32)34-14-22-21(36-27(33)19-9-5-17(2)6-10-19)13-23(35-22)31-12-11-20-24(28)29-15-30-25(20)31/h3-12,15,21-23H,13-14H2,1-2H3/t21-,22+,23+/m1/s1
InChIKey VDRAZDYZJAKJRV-VJBWXMMDSA-N
Mol Weight 505.96 g/mol
Molecular Formula C27H24ClN3O5
Exact Mass 505.140449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WrvzdfX2yp
Name 4-CHLORO-7-[2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24ClN3O5
InChI InChI=1S/C27H24ClN3O5/c1-16-3-7-18(8-4-16)26(32)34-14-22-21(36-27(33)19-9-5-17(2)6-10-19)13-23(35-22)31-12-11-20-24(28)29-15-30-25(20)31/h3-12,15,21-23H,13-14H2,1-2H3/t21-,22+,23+/m1/s1
InChIKey VDRAZDYZJAKJRV-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 505.958 g/mol
Solvent DMSO-D6
Source File Reference UWPR1179