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5,5-Dimethyl-2-[(trifluoromethyl)sulfanyl]-1,3-cyclohexanedione
SpectraBase Compound ID EXdk5i1G1jw
InChI InChI=1S/C9H11F3O2S/c1-8(2)3-5(13)7(6(14)4-8)15-9(10,11)12/h7H,3-4H2,1-2H3
InChIKey YDOQORTWZHTGLJ-UHFFFAOYSA-N
Mol Weight 240.24 g/mol
Molecular Formula C9H11F3O2S
Exact Mass 240.043185 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0Nl4aYZXYb
Name 2-(TRIFLUOROMETHYLTHIO)-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
Comments SCALE INVERTED (DIRECT INDICATION IN THE PUBLICATION).;HX-60 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H11F3O2S
InChI InChI=1S/C9H11F3O2S/c1-8(2)3-5(13)7(6(14)4-8)15-9(10,11)12/h7H,3-4H2,1-2H3
InChIKey YDOQORTWZHTGLJ-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.POPOV, A.HAAS, M.LIEB (1990) J.Fluor.Chem.: v.47, N1, 131-136.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d