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1-[[(1R,2S,3S)-3-(BENZYLOXY)-2-(HYDROXYMETHYL)-CYCLOBUTYL]-METHYL]-THYMINE
SpectraBase Compound ID BfzMou48D8J
InChI InChI=1S/C18H22N2O4/c1-12-8-20(18(23)19-17(12)22)9-14-7-16(15(14)10-21)24-11-13-5-3-2-4-6-13/h2-6,8,14-16,21H,7,9-11H2,1H3,(H,19,22,23)/t14-,15+,16-/m0/s1
InChIKey LQMLQJVVZYZPIU-XHSDSOJGSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbLBoZXM5QX
Name 1-[[(1R,2S,3S)-3-(BENZYLOXY)-2-(HYDROXYMETHYL)-CYCLOBUTYL]-METHYL]-THYMINE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-12-8-20(18(23)19-17(12)22)9-14-7-16(15(14)10-21)24-11-13-5-3-2-4-6-13/h2-6,8,14-16,21H,7,9-11H2,1H3,(H,19,22,23)/t14-,15+,16-/m0/s1
InChIKey LQMLQJVVZYZPIU-XHSDSOJGSA-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 330.384 g/mol
Solvent CD3OD
Source File Reference UWBT20194