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1-[[(1R,4S)-4-[(1S)-1,2-DIHYDROXYETHYL]-CYCLOBUT-2-EN-1-YL]-METHYL]-THYMINE
SpectraBase Compound ID 9aSFVLAopCo
InChI InChI=1S/C12H16N2O4/c1-7-4-14(12(18)13-11(7)17)5-8-2-3-9(8)10(16)6-15/h2-4,8-10,15-16H,5-6H2,1H3,(H,13,17,18)/t8-,9-,10+/m0/s1
InChIKey OYXWJADVKJGIQF-LPEHRKFASA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQ7XXDd5FHI
Name 1-[[(1R,4S)-4-[(1S)-1,2-DIHYDROXYETHYL]-CYCLOBUT-2-EN-1-YL]-METHYL]-THYMINE
Compound Number 8-T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-7-4-14(12(18)13-11(7)17)5-8-2-3-9(8)10(16)6-15/h2-4,8-10,15-16H,5-6H2,1H3,(H,13,17,18)/t8-,9-,10+/m0/s1
InChIKey OYXWJADVKJGIQF-LPEHRKFASA-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 252.270 g/mol
Solvent CD3OD
Source File Reference UWBT20198