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1-[[(1R,2S,3S)-2-[(1S)-1,2-DIHYDROXYETHYL]-3-HYDROXYCYCLOBUTYL]-METHYL]-THYMINE
SpectraBase Compound ID 2B09DBXrCE4
InChI InChI=1S/C12H18N2O5/c1-6-3-14(12(19)13-11(6)18)4-7-2-8(16)10(7)9(17)5-15/h3,7-10,15-17H,2,4-5H2,1H3,(H,13,18,19)/t7-,8-,9+,10+/m0/s1
InChIKey TYQSQXHQLDEJRJ-AXTSPUMRSA-N
Mol Weight 270.28 g/mol
Molecular Formula C12H18N2O5
Exact Mass 270.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JjYro4ZUB3
Name 1-[[(1R,2S,3S)-2-[(1S)-1,2-DIHYDROXYETHYL]-3-HYDROXYCYCLOBUTYL]-METHYL]-THYMINE
Compound Number 7-T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N2O5
InChI InChI=1S/C12H18N2O5/c1-6-3-14(12(19)13-11(6)18)4-7-2-8(16)10(7)9(17)5-15/h3,7-10,15-17H,2,4-5H2,1H3,(H,13,18,19)/t7-,8-,9+,10+/m0/s1
InChIKey TYQSQXHQLDEJRJ-AXTSPUMRSA-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 270.285 g/mol
Solvent CD3OD
Source File Reference UWBT20188