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ALPHA-TRIFLUOROMETHYL-ALPHA-(N-CYCLOHEXYLMETHOXYIMINOCARBONYLTHIO)BENZYLISOCYANATE
SpectraBase Compound ID AFW4gZCUOBz
InChI InChI=1S/C17H19F3N2O2S/c1-24-15(22-14-10-6-3-7-11-14)25-16(21-12-23,17(18,19)20)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3/b22-15-
InChIKey RDLBYBXZDAAYPQ-JCMHNJIXSA-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 D4LbyP5DO30
Name ALPHA-TRIFLUOROMETHYL-ALPHA-(N-CYCLOHEXYLMETHOXYIMINOCARBONYLTHIO)BENZYLISOCYANATE
Comments SCALE INVERTED. MINOR ISOMER IN TAUTOMER MIXTURE (4%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H19F3N2O2S
InChI InChI=1S/C17H19F3N2O2S/c1-24-15(22-14-10-6-3-7-11-14)25-16(21-12-23,17(18,19)20)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3/b22-15-
InChIKey RDLBYBXZDAAYPQ-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