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METHYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-TERT-BUTYLTHIONOURETHANE
SpectraBase Compound ID DPUl6cKyku1
InChI InChI=1S/C16H19F3N2O2S/c1-10-6-8-11(9-7-10)12(16(17,18)19)20-13(22)21(14(24)23-5)15(2,3)4/h6-9H,1-5H3/b20-12-
InChIKey SNQOHJVGBLCFJC-NDENLUEZSA-N
Mol Weight 360.4 g/mol
Molecular Formula C16H19F3N2O2S
Exact Mass 360.111934 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NJC6nMF5h9
Name METHYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-TERT-BUTYLTHIONOURETHANE
Comments SCALE INVERTED. MAJOR ISOMER IN TAUTOMER MIXTURE (90%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19F3N2O2S
InChI InChI=1S/C16H19F3N2O2S/c1-10-6-8-11(9-7-10)12(16(17,18)19)20-13(22)21(14(24)23-5)15(2,3)4/h6-9H,1-5H3/b20-12-
InChIKey SNQOHJVGBLCFJC-NDENLUEZSA-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