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1-[[(1R,2S,3S)-3-(BENZYLOXY)-2-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-CYCLOBUTYL]-METHYL]-THYMINE
SpectraBase Compound ID 6iLA6eZwq9r
InChI InChI=1S/C22H28N2O5/c1-14-10-24(21(26)23-20(14)25)11-16-9-17(27-12-15-7-5-4-6-8-15)19(16)18-13-28-22(2,3)29-18/h4-8,10,16-19H,9,11-13H2,1-3H3,(H,23,25,26)/t16-,17-,18+,19+/m0/s1
InChIKey YZIWTMMPJHTFBR-INDMIFKZSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFobvwxbn8O
Name 1-[[(1R,2S,3S)-3-(BENZYLOXY)-2-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-CYCLOBUTYL]-METHYL]-THYMINE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-14-10-24(21(26)23-20(14)25)11-16-9-17(27-12-15-7-5-4-6-8-15)19(16)18-13-28-22(2,3)29-18/h4-8,10,16-19H,9,11-13H2,1-3H3,(H,23,25,26)/t16-,17-,18+,19+/m0/s1
InChIKey YZIWTMMPJHTFBR-INDMIFKZSA-N
Literature Reference Author R.MIRALLES-LLUMA,A.FIGUERAS,F.BUSQUE,A.ALVAREZ-LARENA,J.BALZ ARINI,M.FIGUEREDO,
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7761(2013)
Literature Reference DOI 10.1002/ejoc.201301097
Molecular Weight 400.475 g/mol
Solvent CDCl3
Source File Reference UWBT20192