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ETHYL-2-(TRIFLUOROACETYLTHIO)-ACETATE

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ETHYL-2-(TRIFLUOROACETYLTHIO)-ACETATE
SpectraBase Compound ID 6kf6yQMGaOF
InChI InChI=1S/C6H7F3O3S/c1-2-12-4(10)3-13-5(11)6(7,8)9/h2-3H2,1H3
InChIKey XMLKKQBNGUPMMM-UHFFFAOYSA-N
Mol Weight 216.17 g/mol
Molecular Formula C6H7F3O3S
Exact Mass 216.0068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ksi7jC9Sqb
Name ETHYL-2-(TRIFLUOROACETYLTHIO)-ACETATE
Compound Number 1H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7F3O3S
InChI InChI=1S/C6H7F3O3S/c1-2-12-4(10)3-13-5(11)6(7,8)9/h2-3H2,1H3
InChIKey XMLKKQBNGUPMMM-UHFFFAOYSA-N
Literature Reference Author T.BILLARD,N.ROQUES,B.R.LANGLOIS
Literature Reference Citation J.ORG.CHEM.,64,3813(1999)
Literature Reference DOI 10.1021/jo980649a
Molecular Weight 216.175 g/mol
Sample ID 59389
Solvent CDCl3