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4H-[1,3,5]thiadiazino[3,2-a]benzimidazol-4-one, 2,3-dihydro-2-phenyl-2-(trifluoromethyl)-
SpectraBase Compound ID AflqRgSKWyT
InChI InChI=1S/C16H10F3N3OS/c17-16(18,19)15(10-6-2-1-3-7-10)21-13(23)22-12-9-5-4-8-11(12)20-14(22)24-15/h1-9H,(H,21,23)
InChIKey DOVXOVCWHSYBPS-UHFFFAOYSA-N
Mol Weight 349.33 g/mol
Molecular Formula C16H10F3N3OS
Exact Mass 349.049668 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oGDwef9xU6
Name 2-TRIFLUOROMETHYL-2-PHENYL-2H-3,4-DIHYDROBENZIMIDAZO[3,2-A]-1,3,5-THIADIAZIN-4-ONE
Comments SCALE INVERTED;WP-200 (BRUKER)
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Formula C16H10F3N3OS
InChI InChI=1S/C16H10F3N3OS/c17-16(18,19)15(10-6-2-1-3-7-10)21-13(23)22-12-9-5-4-8-11(12)20-14(22)24-15/h1-9H,(H,21,23)
InChIKey DOVXOVCWHSYBPS-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