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1-[3',5']-DI-O-ACETYL-2'-DEOXY-2'-(METHYLTHIO)-BETA-D-RIBOFURANOSYL]-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDIN-2(1H)-ONE
SpectraBase Compound ID 3yewKceJUKu
InChI InChI=1S/C16H19N5O6S/c1-9(22)25-6-11-13(26-10(2)23)14(28-3)15(27-11)20-5-4-12(19-16(20)24)21-8-17-7-18-21/h4-5,7-8,11,13-15H,6H2,1-3H3/t11-,13-,14-,15-/m0/s1
InChIKey DHJYIPMQCVXJHT-MXAVVETBSA-N
Mol Weight 409.42 g/mol
Molecular Formula C16H19N5O6S
Exact Mass 409.105605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWu3fo2G5FH
Name 1-[3',5']-DI-O-ACETYL-2'-DEOXY-2'-(METHYLTHIO)-BETA-D-RIBOFURANOSYL]-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDIN-2(1H)-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19N5O6S
InChI InChI=1S/C16H19N5O6S/c1-9(22)25-6-11-13(26-10(2)23)14(28-3)15(27-11)20-5-4-12(19-16(20)24)21-8-17-7-18-21/h4-5,7-8,11,13-15H,6H2,1-3H3/t11-,13-,14-,15-/m0/s1
InChIKey DHJYIPMQCVXJHT-MXAVVETBSA-N
Literature Reference Author A.FRASER,P.WHEELER,P.D.COOK,Y.S.SANGHVI
Literature Reference Citation J.HETCYCL.CHEM.,30,1277(1993)
Literature Reference DOI 10.1002/jhet.5570300518
Molecular Weight 409.417 g/mol
Solvent DMSO-D6
Source File Reference UWGE49