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2-TRIFLUOROMETHYL-2-(PARA-BROMOMETHYLPHENYL)-2H-3,4-DIHYDROBENZIMIDAZO[3,2-A]-1,3,5-THIADIAZIN-4-ONE
SpectraBase Compound ID 34jZTVnLRun
InChI InChI=1S/C17H11BrF3N3OS/c18-9-10-5-7-11(8-6-10)16(17(19,20)21)23-14(25)24-13-4-2-1-3-12(13)22-15(24)26-16/h1-8H,9H2,(H,23,25)
InChIKey NXYSKOWVKOSEQC-UHFFFAOYSA-N
Mol Weight 442.25 g/mol
Molecular Formula C17H11BrF3N3OS
Exact Mass 440.975831 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9HTnVR0VDI
Name 2-TRIFLUOROMETHYL-2-(PARA-BROMOMETHYLPHENYL)-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 C17H11BrF3N3OS
InChI InChI=1S/C17H11BrF3N3OS/c18-9-10-5-7-11(8-6-10)16(17(19,20)21)23-14(25)24-13-4-2-1-3-12(13)22-15(24)26-16/h1-8H,9H2,(H,23,25)
InChIKey NXYSKOWVKOSEQC-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