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ETHYL-ALPHA-FLOURO-ALPHA-[(2-PYRIMIDYL)-THIO]-ACETATE
SpectraBase Compound ID 9b3BXKDJiDL
InChI InChI=1S/C8H9FN2O2S/c1-2-13-7(12)6(9)14-8-10-4-3-5-11-8/h3-6H,2H2,1H3
InChIKey GJMHXUMUKLHOAH-UHFFFAOYSA-N
Mol Weight 216.23 g/mol
Molecular Formula C8H9FN2O2S
Exact Mass 216.036877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KngFEc43X6F
Name ETHYL-ALPHA-FLOURO-ALPHA-[(2-PYRIMIDYL)-THIO]-ACETATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9FN2O2S
InChI InChI=1S/C8H9FN2O2S/c1-2-13-7(12)6(9)14-8-10-4-3-5-11-8/h3-6H,2H2,1H3
InChIKey GJMHXUMUKLHOAH-UHFFFAOYSA-N
Literature Reference Author K.M.DAWOOD,S.HIGASHIYA,Y.HOU,T.FUCHIGAMI
Literature Reference Citation J.ORG.CHEM.,64,7935(1999)
Literature Reference DOI 10.1021/jo9909857
Molecular Weight 216.230 g/mol
Sample ID 60113
Solvent CDCl3