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5-(METHYLTHIO)-3-D-RIBOFURANOSYL-ISOTHIAZOLE-[4,5-D]-PYRIMIDIN-7(6H)-ONE
SpectraBase Compound ID LDWPdeCxoBs
InChI InChI=1S/C11H13N3O5S2/c1-20-11-12-5-4(14-21-9(5)10(18)13-11)8-7(17)6(16)3(2-15)19-8/h3,6-8,15-17H,2H2,1H3,(H,12,13,18)/t3-,6-,7-,8-/m0/s1
InChIKey UTNYWURJBUIAQR-GWESYWMQSA-N
Mol Weight 331.36 g/mol
Molecular Formula C11H13N3O5S2
Exact Mass 331.029663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L63tc2LjmJx
Name 5-(METHYLTHIO)-3-D-RIBOFURANOSYL-ISOTHIAZOLE-[4,5-D]-PYRIMIDIN-7(6H)-ONE
Compound Number 10-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13N3O5S2
InChI InChI=1S/C11H13N3O5S2/c1-20-11-12-5-4(14-21-9(5)10(18)13-11)8-7(17)6(16)3(2-15)19-8/h3,6-8,15-17H,2H2,1H3,(H,12,13,18)/t3-,6-,7-,8-/m0/s1
InChIKey UTNYWURJBUIAQR-GWESYWMQSA-N
Literature Reference Author H.WAMHOFF,R.BERRESSEM,M.NIEGER
Literature Reference Citation J.ORG.CHEM.,59,1912(1994)
Literature Reference DOI 10.1021/jo00086a054
Molecular Weight 331.361 g/mol
Solvent DMSO-D6
Source File Reference UWCP5154