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(1S,5R,6S)-6-BENZYLOXY-5-METHANESULFONYLOXYMETHYL-1-(URACIL-1-YL)-3,8-DIOXABICYCLO-[3.2.1]-OCTANE
SpectraBase Compound ID 4bkmISo1Mlc
InChI InChI=1S/C19H22N2O8S/c1-30(24,25)28-12-18-11-26-13-19(29-18,21-8-7-16(22)20-17(21)23)9-15(18)27-10-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,20,22,23)/t15-,18+,19-/m1/s1
InChIKey CPAWSEVMNGEMQQ-AYOQOUSVSA-N
Mol Weight 438.45 g/mol
Molecular Formula C19H22N2O8S
Exact Mass 438.109687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeB4IQheHrH
Name (1S,5R,6S)-6-BENZYLOXY-5-METHANESULFONYLOXYMETHYL-1-(URACIL-1-YL)-3,8-DIOXABICYCLO-[3.2.1]-OCTANE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2O8S
InChI InChI=1S/C19H22N2O8S/c1-30(24,25)28-12-18-11-26-13-19(29-18,21-8-7-16(22)20-17(21)23)9-15(18)27-10-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,20,22,23)/t15-,18+,19-/m1/s1
InChIKey CPAWSEVMNGEMQQ-AYOQOUSVSA-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 438.452 g/mol
Solvent DMSO-D6
Source File Reference UWLU27279