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9-BETA-D-XYLOPYRANOSYL-1-METHYL-2-(METHYLTHIO)-PURIN-6(1H)-ONE
SpectraBase Compound ID Fxty0DXfRdk
InChI InChI=1S/C12H16N4O5S/c1-15-10(20)6-9(14-12(15)22-2)16(4-13-6)11-8(19)7(18)5(17)3-21-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7+,8-,11-/m0/s1
InChIKey UJFIYPFEIVGXBG-YRCUVVFSSA-N
Mol Weight 328.34 g/mol
Molecular Formula C12H16N4O5S
Exact Mass 328.084141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kl5pkRGEwl
Name 9-BETA-D-XYLOPYRANOSYL-1-METHYL-2-(METHYLTHIO)-PURIN-6(1H)-ONE
CAS Registry Number 137363-13-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N4O5S
InChI InChI=1S/C12H16N4O5S/c1-15-10(20)6-9(14-12(15)22-2)16(4-13-6)11-8(19)7(18)5(17)3-21-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7+,8-,11-/m0/s1
InChIKey UJFIYPFEIVGXBG-YRCUVVFSSA-N
Literature Reference Author M.MELGUIZO,M.NOGUERAS,A.SANCHEZ
Literature Reference Citation J.ORG.CHEM.,57,559(1992)
Literature Reference DOI 10.1021/jo00028a031
Molecular Weight 328.343 g/mol
Solvent DMSO-D6
Source File Reference UWCS2157