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METHYL N-[N-(ALPHA-TRIFLUOROMETHYLBENZYLIDENE)AMINOCARBONYL]-N-(4-METHOXYPHENYL)THIONOURETHANE
SpectraBase Compound ID Imf6wUcytJu
InChI InChI=1S/C18H15F3N2O3S/c1-25-14-10-8-13(9-11-14)23(17(27)26-2)16(24)22-15(18(19,20)21)12-6-4-3-5-7-12/h3-11H,1-2H3/b22-15-
InChIKey WNQKIWZPJDTCIL-JCMHNJIXSA-N
Mol Weight 396.38 g/mol
Molecular Formula C18H15F3N2O3S
Exact Mass 396.075548 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7U7pXPoB26k
Name METHYL N-[N-(ALPHA-TRIFLUOROMETHYLBENZYLIDENE)AMINOCARBONYL]-N-(4-METHOXYPHENYL)THIONOURETHANE
Comments SCALE INVERTED. MINOR ISOMER IN TAUTOMER MIXTURE (41%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H15F3N2O3S
InChI InChI=1S/C18H15F3N2O3S/c1-25-14-10-8-13(9-11-14)23(17(27)26-2)16(24)22-15(18(19,20)21)12-6-4-3-5-7-12/h3-11H,1-2H3/b22-15-
InChIKey WNQKIWZPJDTCIL-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