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N-[4-CHLORO-7-[2-DEOXY-5-O-[(1,1-DIMETHYLETHYL)-DIPHENYLSILYL]-3-O-(METHYLSULFONYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-2-YL]-FORMAMIDE
SpectraBase Compound ID Hl3M96dSXWr
InChI InChI=1S/C29H33ClN4O6SSi/c1-29(2,3)42(20-11-7-5-8-12-20,21-13-9-6-10-14-21)38-18-24-23(40-41(4,36)37)17-25(39-24)34-16-15-22-26(30)32-28(31-19-35)33-27(22)34/h5-16,19,23-25H,17-18H2,1-4H3,(H,31,32,33,35)/t23-,24+,25+/m1/s1
InChIKey JRLYDSVLQXCLGI-DSITVLBTSA-N
Mol Weight 629.2 g/mol
Molecular Formula C29H33ClN4O6SSi
Exact Mass 628.15786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EA8yGnN39S7
Name N-[4-CHLORO-7-[2-DEOXY-5-O-[(1,1-DIMETHYLETHYL)-DIPHENYLSILYL]-3-O-(METHYLSULFONYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-2-YL]-FORMAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33ClN4O6SSi
InChI InChI=1S/C29H33ClN4O6SSi/c1-29(2,3)42(20-11-7-5-8-12-20,21-13-9-6-10-14-21)38-18-24-23(40-41(4,36)37)17-25(39-24)34-16-15-22-26(30)32-28(31-19-35)33-27(22)34/h5-16,19,23-25H,17-18H2,1-4H3,(H,31,32,33,35)/t23-,24+,25+/m1/s1
InChIKey JRLYDSVLQXCLGI-DSITVLBTSA-N
Literature Reference Author F.SEELA,H.P.MUTH
Literature Reference Citation HELV.CHIM.ACTA,74,1081(1991)
Literature Reference DOI 10.1002/hlca.19910740517
Molecular Weight 629.203 g/mol
Solvent DMSO-D6
Source File Reference UWVP259