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ETHYL-[2-OXO-3-(PYRIDIN-2-YLTHIO)-PYRAZIN-1(2H)-YL]-ACETATE-ZINC-DICHLORIDE-COMPLEX
SpectraBase Compound ID IyixSPOKD6K
InChI InChI=1S/C13H13N3O3S.2ClH.Zn/c1-2-19-11(17)9-16-8-7-15-12(13(16)18)20-10-5-3-4-6-14-10;;;/h3-8H,2,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKey KVGCXXJRGYGAPX-UHFFFAOYSA-L
Mol Weight 427.61 g/mol
Molecular Formula C13H13Cl2N3O3SZn
Exact Mass 424.93461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDMr5gRO0JE
Name ETHYL-[2-OXO-3-(PYRIDIN-2-YLTHIO)-PYRAZIN-1(2H)-YL]-ACETATE-ZINC-DICHLORIDE-COMPLEX
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13Cl2N3O3SZn
InChI InChI=1S/C13H13N3O3S.2ClH.Zn/c1-2-19-11(17)9-16-8-7-15-12(13(16)18)20-10-5-3-4-6-14-10;;;/h3-8H,2,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKey KVGCXXJRGYGAPX-UHFFFAOYSA-L
Literature Reference Author J.Y.CHUNG,R.J.CVETOVICH,F.R.TSAY,P.G.DORMER,L.DIMICHELE,D.J. MATHRE,J.R.CHILENSKI
Literature Reference Citation J.ORG.CHEM.,68,8838(2003)
Literature Reference DOI 10.1021/jo034835e
Molecular Weight 427.611 g/mol
Solvent CD3CN
Source File Reference UWSI21067