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3-BENZOYL-1-[[(1R,2S,3R,4R)-2,3-DIHYDROXY-4-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-CYCLOBUT-1-YL]-METHYL]-THYMINE
SpectraBase Compound ID 6n1N1MR87ro
InChI InChI=1S/C22H26N2O7/c1-12-9-23(21(29)24(19(12)27)20(28)13-7-5-4-6-8-13)10-14-16(18(26)17(14)25)15-11-30-22(2,3)31-15/h4-9,14-18,25-26H,10-11H2,1-3H3/t14-,15+,16-,17-,18+/m0/s1
InChIKey KHYXHULYDRJWDZ-FLXSYLCISA-N
Mol Weight 430.46 g/mol
Molecular Formula C22H26N2O7
Exact Mass 430.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83xSM51PWtn
Name 3-BENZOYL-1-[[(1R,2S,3R,4R)-2,3-DIHYDROXY-4-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-CYCLOBUT-1-YL]-METHYL]-THYMINE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O7
InChI InChI=1S/C22H26N2O7/c1-12-9-23(21(29)24(19(12)27)20(28)13-7-5-4-6-8-13)10-14-16(18(26)17(14)25)15-11-30-22(2,3)31-15/h4-9,14-18,25-26H,10-11H2,1-3H3/t14-,15+,16-,17-,18+/m0/s1
InChIKey KHYXHULYDRJWDZ-FLXSYLCISA-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 430.458 g/mol
Solvent CD3OD
Source File Reference UWBT20200