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ETHYL N-[N-(ALPHA-TRIFLUOROMETHYLBENZYLIDENE)AMINOCARBONYL]-N-(4-METHOXYPHENYL)THIONOURETHANE
SpectraBase Compound ID LQJildIOLGO
InChI InChI=1S/C19H17F3N2O3S/c1-3-27-18(28)24(14-9-11-15(26-2)12-10-14)17(25)23-16(19(20,21)22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3/b23-16-
InChIKey FOAPRFJZKPAMGM-KQWNVCNZSA-N
Mol Weight 410.41 g/mol
Molecular Formula C19H17F3N2O3S
Exact Mass 410.091198 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bSIgH9zHqY
Name ETHYL N-[N-(ALPHA-TRIFLUOROMETHYLBENZYLIDENE)AMINOCARBONYL]-N-(4-METHOXYPHENYL)THIONOURETHANE
Comments SCALE INVERTED. MAJOR ISOMER IN TAUTOMER MIXTURE (62%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H17F3N2O3S
InChI InChI=1S/C19H17F3N2O3S/c1-3-27-18(28)24(14-9-11-15(26-2)12-10-14)17(25)23-16(19(20,21)22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3/b23-16-
InChIKey FOAPRFJZKPAMGM-KQWNVCNZSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, YU.N.DAVIDYUK, A.N.CHERNEGA, I.F.TSYMBAL, L.I.SAMARAI (1992)Zhurn.Org.Khim.(Russ. Lang.): v.28, N10, 2042-2053.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6