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ISOPROPYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-(PARA-TOLYL)THIONOURETHANE
SpectraBase Compound ID KDJeCkKTGU9
InChI InChI=1S/C21H21F3N2O2S/c1-13(2)28-20(29)26(17-11-7-15(4)8-12-17)19(27)25-18(21(22,23)24)16-9-5-14(3)6-10-16/h5-13H,1-4H3/b25-18-
InChIKey WVLXKLSKHDARSX-BWAHOGKJSA-N
Mol Weight 422.47 g/mol
Molecular Formula C21H21F3N2O2S
Exact Mass 422.127584 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NcnmgqqSkZ
Name ISOPROPYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-(PARA-TOLYL)THIONOURETHANE
Comments SCALE INVERTED. MAJOR ISOMER IN TAUTOMER MIXTURE (68%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21F3N2O2S
InChI InChI=1S/C21H21F3N2O2S/c1-13(2)28-20(29)26(17-11-7-15(4)8-12-17)19(27)25-18(21(22,23)24)16-9-5-14(3)6-10-16/h5-13H,1-4H3/b25-18-
InChIKey WVLXKLSKHDARSX-BWAHOGKJSA-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