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METHYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-PHENYLTHIONOURETHANE
SpectraBase Compound ID 4u7CGmYH1zf
InChI InChI=1S/C18H15F3N2O2S/c1-12-8-10-13(11-9-12)15(18(19,20)21)22-16(24)23(17(26)25-2)14-6-4-3-5-7-14/h3-11H,1-2H3/b22-15-
InChIKey WNVFFXUJYFATTQ-JCMHNJIXSA-N
Mol Weight 380.39 g/mol
Molecular Formula C18H15F3N2O2S
Exact Mass 380.080633 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54sFeIUBUox
Name METHYL N-[N-(ALPHA-TRIFLUOROMETHYL-PARA-METHYLBENZYLIDENE)AMINOCARBONYL]-N-PHENYLTHIONOURETHANE
Comments SCALE INVERTED. MAJOR ISOMER IN TAUTOMER MIXTURE (67%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H15F3N2O2S
InChI InChI=1S/C18H15F3N2O2S/c1-12-8-10-13(11-9-12)15(18(19,20)21)22-16(24)23(17(26)25-2)14-6-4-3-5-7-14/h3-11H,1-2H3/b22-15-
InChIKey WNVFFXUJYFATTQ-JCMHNJIXSA-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