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2-TRIFLUOROMETHYL-2-(PARA-TOLYL)-2H-3,4-DIHYDROBENZIMIDAZO[3,2-A]-1,3,5-THIADIAZIN-4-ONE

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2-TRIFLUOROMETHYL-2-(PARA-TOLYL)-2H-3,4-DIHYDROBENZIMIDAZO[3,2-A]-1,3,5-THIADIAZIN-4-ONE
SpectraBase Compound ID 6SQkFTteeY0
InChI InChI=1S/C17H12F3N3OS/c1-10-6-8-11(9-7-10)16(17(18,19)20)22-14(24)23-13-5-3-2-4-12(13)21-15(23)25-16/h2-9H,1H3,(H,22,24)
InChIKey XUHHXMQOORRJGF-UHFFFAOYSA-N
Mol Weight 363.36 g/mol
Molecular Formula C17H12F3N3OS
Exact Mass 363.065318 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiWKh5O01gs
Name 2-TRIFLUOROMETHYL-2-(PARA-TOLYL)-2H-3,4-DIHYDROBENZIMIDAZO[3,2-A]-1,3,5-THIADIAZIN-4-ONE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H12F3N3OS
InChI InChI=1S/C17H12F3N3OS/c1-10-6-8-11(9-7-10)16(17(18,19)20)22-14(24)23-13-5-3-2-4-12(13)21-15(23)25-16/h2-9H,1H3,(H,22,24)
InChIKey XUHHXMQOORRJGF-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, YU.N.DAVIDYUK, L.I.SAMARAI (1992) Ukrain.Khim.Zhurn.(Russ. Lang.):v.58, N1, 54-57.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d