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ETHYL-2-(4,6-DIHYDROXYPYRIMIDIN-2-YLTHIO)-HEXANOATE
SpectraBase Compound ID AuU2AE03QTm
InChI InChI=1S/C12H18N2O4S/c1-3-5-6-8(11(17)18-4-2)19-12-13-9(15)7-10(16)14-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKey TXADGEWJMPGDON-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C12H18N2O4S
Exact Mass 286.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGvP2JmFwoN
Name ETHYL-2-(4,6-DIHYDROXYPYRIMIDIN-2-YLTHIO)-HEXANOATE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N2O4S
InChI InChI=1S/C12H18N2O4S/c1-3-5-6-8(11(17)18-4-2)19-12-13-9(15)7-10(16)14-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKey TXADGEWJMPGDON-UHFFFAOYSA-N
Literature Reference Author M.HIEKE,J.NESS,R.STERI,M.DITTRICH,C.GREINER,O.WERZ,K.BAUMANN ,M.SCHUBERT-ZSILAVEC
Literature Reference Citation J.MED.CHEM.,53,4691(2010)
Literature Reference DOI 10.1021/jm1003073
Molecular Weight 286.346 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46167