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2-Hydroxy-2-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
SpectraBase Compound ID LXljEc5vNK0
InChI InChI=1S/C9H6F3NO2S/c10-9(11,12)8(15)7(14)13-5-3-1-2-4-6(5)16-8/h1-4,15H,(H,13,14)
InChIKey KHRNGIQQQUTMTJ-UHFFFAOYSA-N
Mol Weight 249.21 g/mol
Molecular Formula C9H6F3NO2S
Exact Mass 249.007134 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQbcjz17avs
Name 2-HYDROXY-2-TRIFLUOROMETHYL-2H-1,4-BENZO[B]THIAZIN-3-ONE
Comments STANDARD IS DEDUCED TO BE CF3COOH. SCALE INVERTED (S.T.);R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H6F3NO2S
InChI InChI=1S/C9H6F3NO2S/c10-9(11,12)8(15)7(14)13-5-3-1-2-4-6(5)16-8/h1-4,15H,(H,13,14)
InChIKey KHRNGIQQQUTMTJ-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN (1989)Khim.Heteroc.Soed.(Russ. Lang.): N10, 1429-1429.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6