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METHYL N-[N-(ALPHA-TRIFLUOROMETHYLBENZYLIDENE)AMINOCARBONYL]-N-CYCLOHEXYLTHIONOURETHANE
SpectraBase Compound ID GrczpWhxxCE
InChI InChI=1S/C17H19F3N2O2S/c1-24-16(25)22(13-10-6-3-7-11-13)15(23)21-14(17(18,19)20)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3/b21-14-
InChIKey QPULGVMWNIWKME-STZFKDTASA-N
Mol Weight 372.41 g/mol
Molecular Formula C17H19F3N2O2S
Exact Mass 372.111934 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Q3dL4C4tMv
Name METHYL N-[N-(ALPHA-TRIFLUOROMETHYLBENZYLIDENE)AMINOCARBONYL]-N-CYCLOHEXYLTHIONOURETHANE
Comments SCALE INVERTED. MAJOR ISOMER IN TAUTOMER MIXTURE (96%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H19F3N2O2S
InChI InChI=1S/C17H19F3N2O2S/c1-24-16(25)22(13-10-6-3-7-11-13)15(23)21-14(17(18,19)20)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3/b21-14-
InChIKey QPULGVMWNIWKME-STZFKDTASA-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