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1-[[(1R,2R,3S,4S)-2,3-DIHYDROXY-4-[(1S)-1,2-DIHYDROXYETHYL]-CYCLOBUT-1-YL]-METHYL]-THYMINE
SpectraBase Compound ID 7pnF6YtGGWP
InChI InChI=1S/C12H18N2O6/c1-5-2-14(12(20)13-11(5)19)3-6-8(7(16)4-15)10(18)9(6)17/h2,6-10,15-18H,3-4H2,1H3,(H,13,19,20)/t6-,7+,8-,9+,10-/m0/s1
InChIKey ITINHRNAQJDYNQ-LRPJSKTQSA-N
Mol Weight 286.28 g/mol
Molecular Formula C12H18N2O6
Exact Mass 286.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53H6av8tQgH
Name 1-[[(1R,2R,3S,4S)-2,3-DIHYDROXY-4-[(1S)-1,2-DIHYDROXYETHYL]-CYCLOBUT-1-YL]-METHYL]-THYMINE
Compound Number 9-T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N2O6
InChI InChI=1S/C12H18N2O6/c1-5-2-14(12(20)13-11(5)19)3-6-8(7(16)4-15)10(18)9(6)17/h2,6-10,15-18H,3-4H2,1H3,(H,13,19,20)/t6-,7+,8-,9+,10-/m0/s1
InChIKey ITINHRNAQJDYNQ-LRPJSKTQSA-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 286.285 g/mol
Solvent CD3OD
Source File Reference UWBT20201