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6-PIPERIDINO-2,5-DIPHENYL-2-TRIFLUOROMETHYL-2H-1,3,5-THIADIAZIN-5-IO-4-OLATE
SpectraBase Compound ID uZSJ6BjXbT
InChI InChI=1S/C21H20F3N3OS/c22-21(23,24)20(16-10-4-1-5-11-16)25-18(28)27(17-12-6-2-7-13-17)19(29-20)26-14-8-3-9-15-26/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKey GRJIYJZONBEGSX-UHFFFAOYSA-N
Mol Weight 419.47 g/mol
Molecular Formula C21H20F3N3OS
Exact Mass 419.127918 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaZ7XeWWsQe
Name 6-PIPERIDINO-2-TRIFLUOROMETHYL-2,5-DIPHENYL-2H-1,3,5-THIADIAZIN-5-IO-4-OLATE
Comments THERE IS AN TAUTOMER EQUILIBRIUM WITH S-(1-ISOCYANATOALKYL)ISOTHIOUREA;RS-56 (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20F3N3OS
InChI InChI=1S/C21H20F3N3OS/c22-21(23,24)20(16-10-4-1-5-11-16)25-18(28)27(17-12-6-2-7-13-17)19(29-20)26-14-8-3-9-15-26/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKey GRJIYJZONBEGSX-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, L.I.SAMARAI (1990) Khim.Heteroc.Soed.(Russ. Lang.): N8, 1143-1144.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6D6 benzene-d6