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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-5-METHYL-2(1H)-ONE
SpectraBase Compound ID 6dEMMDQ1qu6
InChI InChI=1S/C17H21N5O6S/c1-9-5-21(17(25)20-15(9)22-8-18-7-19-22)16-14(29-4)13(27-11(3)24)12(28-16)6-26-10(2)23/h5,7-8,12-14,16H,6H2,1-4H3/t12-,13-,14-,16-/m0/s1
InChIKey AWOAQGVNZNBRML-YXWQFLTLSA-N
Mol Weight 423.44 g/mol
Molecular Formula C17H21N5O6S
Exact Mass 423.121255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5E31K5hODjk
Name 1-[3',5'-DI-O-ACETYL-2'-DEOXY-2'-(METHYLTHIO)-BETA-D-RIBOFURANOSYL]-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDIN-5-METHYL-2(1H)-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21N5O6S
InChI InChI=1S/C17H21N5O6S/c1-9-5-21(17(25)20-15(9)22-8-18-7-19-22)16-14(29-4)13(27-11(3)24)12(28-16)6-26-10(2)23/h5,7-8,12-14,16H,6H2,1-4H3/t12-,13-,14-,16-/m0/s1
InChIKey AWOAQGVNZNBRML-YXWQFLTLSA-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 423.444 g/mol
Solvent DMSO-D6
Source File Reference UWGE50