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2-TRIFLUOROMETHYL-2,5-BIS(PARA-TOLYL)-6-PARA-TOLYLIMINO-2H-3,4-DIHYDRO-1,3,5-THIADIAZIN-4-ONE
SpectraBase Compound ID H8zE0ipVmLr
InChI InChI=1S/C25H22F3N3OS/c1-16-4-10-19(11-5-16)24(25(26,27)28)30-22(32)31(21-14-8-18(3)9-15-21)23(33-24)29-20-12-6-17(2)7-13-20/h4-15H,1-3H3,(H,30,32)/b29-23-
InChIKey MIZLJNIHANGSAC-FAJYDZGRSA-N
Mol Weight 469.53 g/mol
Molecular Formula C25H22F3N3OS
Exact Mass 469.143568 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ibrnn98PPDa
Name 2-TRIFLUOROMETHYL-2,5-BIS(PARA-TOLYL)-6-PARA-TOLYLIMINO-2H-3,4-DIHYDRO-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 C25H22F3N3OS
InChI InChI=1S/C25H22F3N3OS/c1-16-4-10-19(11-5-16)24(25(26,27)28)30-22(32)31(21-14-8-18(3)9-15-21)23(33-24)29-20-12-6-17(2)7-13-20/h4-15H,1-3H3,(H,30,32)/b29-23-
InChIKey MIZLJNIHANGSAC-FAJYDZGRSA-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