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6-MORPHOLINO-5-PHENYL-2-PARA-TOLYL-2-TRIFLUOROMETHYL-2H-1,3,5-THIADIAZIN-5-IO-4-OLATE
SpectraBase Compound ID HztaSuSxRmz
InChI InChI=1S/C21H20F3N3O2S/c1-15-7-9-16(10-8-15)20(21(22,23)24)25-18(28)27(17-5-3-2-4-6-17)19(30-20)26-11-13-29-14-12-26/h2-10H,11-14H2,1H3
InChIKey XQVDXHPBXOSWKZ-UHFFFAOYSA-N
Mol Weight 435.47 g/mol
Molecular Formula C21H20F3N3O2S
Exact Mass 435.122833 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5HCvrZlgck
Name 6-MORPHOLINO-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 C21H20F3N3O2S
InChI InChI=1S/C21H20F3N3O2S/c1-15-7-9-16(10-8-15)20(21(22,23)24)25-18(28)27(17-5-3-2-4-6-17)19(30-20)26-11-13-29-14-12-26/h2-10H,11-14H2,1H3
InChIKey XQVDXHPBXOSWKZ-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