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METHYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-(PARA-TOLYL)THIONOURETHANE
SpectraBase Compound ID 1jFM21VSYZq
InChI InChI=1S/C19H17F3N2O2S/c1-12-4-8-14(9-5-12)16(19(20,21)22)23-17(25)24(18(27)26-3)15-10-6-13(2)7-11-15/h4-11H,1-3H3/b23-16-
InChIKey TXNWQNBBIYJQAJ-KQWNVCNZSA-N
Mol Weight 394.41 g/mol
Molecular Formula C19H17F3N2O2S
Exact Mass 394.096283 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Eu6Vmpjj8p
Name METHYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-(PARA-TOLYL)THIONOURETHANE
Comments SCALE INVERTED. MAJOR ISOMER IN TAUTOMER MIXTURE (64%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H17F3N2O2S
InChI InChI=1S/C19H17F3N2O2S/c1-12-4-8-14(9-5-12)16(19(20,21)22)23-17(25)24(18(27)26-3)15-10-6-13(2)7-11-15/h4-11H,1-3H3/b23-16-
InChIKey TXNWQNBBIYJQAJ-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