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6-PIPERIDINO-5-PHENYL-2-PARA-TOLYL-2-TRIFLUOROMETHYL-2H-1,3,5-THIADIAZIN-5-IO-4-OLATE
SpectraBase Compound ID F6KrtElyAh8
InChI InChI=1S/C22H22F3N3OS/c1-16-10-12-17(13-11-16)21(22(23,24)25)26-19(29)28(18-8-4-2-5-9-18)20(30-21)27-14-6-3-7-15-27/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKey POOPCUAMAQQCSI-UHFFFAOYSA-N
Mol Weight 433.49 g/mol
Molecular Formula C22H22F3N3OS
Exact Mass 433.143568 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhREH0Q2XE3
Name 6-PIPERIDINO-5-PHENYL-2-PARA-TOLYL-2-TRIFLUOROMETHYL-2H-1,3,5-THIADIAZIN-5-IO-4-OLATE
Comments SCALE INVERTED. IN (CD3)2CO MIXTURE OF CHAIN AND RING TAUTOMERS;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H22F3N3OS
InChI InChI=1S/C22H22F3N3OS/c1-16-10-12-17(13-11-16)21(22(23,24)25)26-19(29)28(18-8-4-2-5-9-18)20(30-21)27-14-6-3-7-15-27/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKey POOPCUAMAQQCSI-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, YU.N.DAVIDYUK, L.I.SAMARAI (1991) Ukrain.Khim.Zhurn.(Russ. Lang.):v.57, N12, 1316-1321.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6D6 benzene-d6