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1-[1',4'-DI-O-BENZYL-3'-DEOXY-5'-C-METHANESULFONYLOXYMETHYL-6'-O-METHANESULFONYL-BETA-D-PSICOFURANOSYL]-URACIL
SpectraBase Compound ID HR6Wy7rmKKr
InChI InChI=1S/C27H32N2O11S2/c1-41(32,33)38-18-26(19-39-42(2,34)35)23(37-17-22-11-7-4-8-12-22)15-27(40-26,29-14-13-24(30)28-25(29)31)20-36-16-21-9-5-3-6-10-21/h3-14,23H,15-20H2,1-2H3,(H,28,30,31)/t23-,27-/m0/s1
InChIKey JSYYHZUKPBRAAV-HOFKKMOUSA-N
Mol Weight 624.7 g/mol
Molecular Formula C27H32N2O11S2
Exact Mass 624.144752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRPZZzdhS54
Name 1-[1',4'-DI-O-BENZYL-3'-DEOXY-5'-C-METHANESULFONYLOXYMETHYL-6'-O-METHANESULFONYL-BETA-D-PSICOFURANOSYL]-URACIL
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N2O11S2
InChI InChI=1S/C27H32N2O11S2/c1-41(32,33)38-18-26(19-39-42(2,34)35)23(37-17-22-11-7-4-8-12-22)15-27(40-26,29-14-13-24(30)28-25(29)31)20-36-16-21-9-5-3-6-10-21/h3-14,23H,15-20H2,1-2H3,(H,28,30,31)/t23-,27-/m0/s1
InChIKey JSYYHZUKPBRAAV-HOFKKMOUSA-N
Literature Reference Author L.KVAERNO,J.WENGEL
Literature Reference Citation J.ORG.CHEM.,66,5498(2001)
Literature Reference DOI 10.1021/jo015664l
Molecular Weight 624.678 g/mol
Solvent CDCl3
Source File Reference UWLU27276