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3-TRIFLUOROMETHYL-5,6-BENZO-1,4-OXATHIANE
SpectraBase Compound ID K3hY48HuOyh
InChI InChI=1S/C9H7F3OS/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2
InChIKey UOPJVPCKVJXBPE-UHFFFAOYSA-N
Mol Weight 220.21 g/mol
Molecular Formula C9H7F3OS
Exact Mass 220.016971 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5346F0cZztp
Name 3-TRIFLUOROMETHYL-5,6-BENZO-1,4-OXATHIANE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7F3OS
InChI InChI=1S/C9H7F3OS/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2
InChIKey UOPJVPCKVJXBPE-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.SIZOV, A.F.KOLOMIETS, A.V.FOKIN (1991) Izv.Akad.Nauk SSSR(Russ. Lang.): N7,1625-1630.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D3N acetonitrile-d