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1-[1',4'-DI-O-BENZYL-3'-DEOXY-6'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-URACIL
SpectraBase Compound ID IUwtuEDuRN7
InChI InChI=1S/C45H44N2O8/c1-50-38-22-18-36(19-23-38)45(35-16-10-5-11-17-35,37-20-24-39(51-2)25-21-37)54-31-41-40(53-30-34-14-8-4-9-15-34)28-44(55-41,47-27-26-42(48)46-43(47)49)32-52-29-33-12-6-3-7-13-33/h3-27,40-41H,28-32H2,1-2H3,(H,46,48,49)/t40-,41+,44-/m0/s1
InChIKey XPLCTKWDPVJEOB-OHJVXUKZSA-N
Mol Weight 740.9 g/mol
Molecular Formula C45H44N2O8
Exact Mass 740.309766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hh89OJMNAF3
Name 1-[1',4'-DI-O-BENZYL-3'-DEOXY-6'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-URACIL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H44N2O8
InChI InChI=1S/C45H44N2O8/c1-50-38-22-18-36(19-23-38)45(35-16-10-5-11-17-35,37-20-24-39(51-2)25-21-37)54-31-41-40(53-30-34-14-8-4-9-15-34)28-44(55-41,47-27-26-42(48)46-43(47)49)32-52-29-33-12-6-3-7-13-33/h3-27,40-41H,28-32H2,1-2H3,(H,46,48,49)/t40-,41+,44-/m0/s1
InChIKey XPLCTKWDPVJEOB-OHJVXUKZSA-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 740.853 g/mol
Solvent CDCl3
Source File Reference UWLU27273