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(1S,6R,7R,9R)-5-HYDROXY-6-HYDROXYMETHYL-8-(THYMIN-1-YL)-2,7-DIOXABICYCLO-[3.3.0]-OCTANE
SpectraBase Compound ID 1k0IXE1e3we
InChI InChI=1S/C12H16N2O6/c1-6-4-14(11(17)13-9(6)16)10-8-12(18,2-3-19-8)7(5-15)20-10/h4,7-8,10,15,18H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,10-,12-/m0/s1
InChIKey PFDZWZVJQWQVPD-ZQCZZBHPSA-N
Mol Weight 284.27 g/mol
Molecular Formula C12H16N2O6
Exact Mass 284.100836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVYoEIOlrp8
Name (1S,6R,7R,9R)-5-HYDROXY-6-HYDROXYMETHYL-8-(THYMIN-1-YL)-2,7-DIOXABICYCLO-[3.3.0]-OCTANE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N2O6
InChI InChI=1S/C12H16N2O6/c1-6-4-14(11(17)13-9(6)16)10-8-12(18,2-3-19-8)7(5-15)20-10/h4,7-8,10,15,18H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,10-,12-/m0/s1
InChIKey PFDZWZVJQWQVPD-ZQCZZBHPSA-N
Literature Reference Author P.NIELSEN,H.M.PFUNDHELLER,C.E.OLSEN,J.WENGEL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3423(1997)
Literature Reference DOI 10.1039/a703176i
Molecular Weight 284.269 g/mol
Solvent CD3OD
Source File Reference UWRU8036