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3-BENZOYL-1-[[(1R,4S)-4-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-CYCLOBUT-2-EN-1-YL]-METHYL]-THYMINE
SpectraBase Compound ID LJBqwF5ii0k
InChI InChI=1S/C22H24N2O5/c1-14-11-23(12-16-9-10-17(16)18-13-28-22(2,3)29-18)21(27)24(19(14)25)20(26)15-7-5-4-6-8-15/h4-11,16-18H,12-13H2,1-3H3/t16-,17-,18+/m0/s1
InChIKey UXXREQWRHYMFLD-OKZBNKHCSA-N
Mol Weight 396.44 g/mol
Molecular Formula C22H24N2O5
Exact Mass 396.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsDe16JXbdv
Name 3-BENZOYL-1-[[(1R,4S)-4-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-CYCLOBUT-2-EN-1-YL]-METHYL]-THYMINE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2O5
InChI InChI=1S/C22H24N2O5/c1-14-11-23(12-16-9-10-17(16)18-13-28-22(2,3)29-18)21(27)24(19(14)25)20(26)15-7-5-4-6-8-15/h4-11,16-18H,12-13H2,1-3H3/t16-,17-,18+/m0/s1
InChIKey UXXREQWRHYMFLD-OKZBNKHCSA-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 396.443 g/mol
Solvent CDCl3
Source File Reference UWBT20196