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3-TRIFLUOROMETHYL-7-METHOXYBENZO-1,4-OXATHIANE
SpectraBase Compound ID CA00jcHwNRL
InChI InChI=1S/C10H9F3O2S/c1-14-6-2-3-8-7(4-6)15-5-9(16-8)10(11,12)13/h2-4,9H,5H2,1H3
InChIKey WTCGUSRUZSEIHZ-UHFFFAOYSA-N
Mol Weight 250.24 g/mol
Molecular Formula C10H9F3O2S
Exact Mass 250.027535 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88gz1fSn4Iz
Name 3-TRIFLUOROMETHYL-7-METHOXYBENZO-1,4-OXATHIANE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H9F3O2S
InChI InChI=1S/C10H9F3O2S/c1-14-6-2-3-8-7(4-6)15-5-9(16-8)10(11,12)13/h2-4,9H,5H2,1H3
InChIKey WTCGUSRUZSEIHZ-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