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3,5-BIS(TRIFLUOROMETHYLTHIO)BENZOIC ACID
SpectraBase Compound ID Ki1LHwFiPx8
InChI InChI=1S/C9H4F6O2S2/c10-8(11,12)18-5-1-4(7(16)17)2-6(3-5)19-9(13,14)15/h1-3H,(H,16,17)
InChIKey DURCDAJLTJWPKW-UHFFFAOYSA-N
Mol Weight 322.24 g/mol
Molecular Formula C9H4F6O2S2
Exact Mass 321.955691 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 540aY7z2oau
Name 3,5-BIS(TRIFLUOROMETHYLTHIO)BENZOIC ACID
Comments IN WEAK FIELD
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H4F6O2S2
InChI InChI=1S/C9H4F6O2S2/c10-8(11,12)18-5-1-4(7(16)17)2-6(3-5)19-9(13,14)15/h1-3H,(H,16,17)
InChIKey DURCDAJLTJWPKW-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference V.N.BOIKO, G.M.SHCHUPAK, L.M.YAGUPOL'SKY (1985) Zhurn.Org.Khim.(Russ. Lang.):v.21, N7, 1470-1477.
NMR Standard C6H5CF3
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C4H10O diethyl ether