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ALPHA-TRIFLUOROMETHYL-ALPHA-(N-TERT-BUTYLMETHOXYIMINOCARBONYLTHIO)-PARA-METHYLBENZYLISOCYANATE
SpectraBase Compound ID Jb17EzN9Ai1
InChI InChI=1S/C16H19F3N2O2S/c1-11-6-8-12(9-7-11)15(20-10-22,16(17,18)19)24-13(23-5)21-14(2,3)4/h6-9H,1-5H3/b21-13-
InChIKey GSALGRJTPSULJQ-BKUYFWCQSA-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 DKDEtp4OQDo
Name ALPHA-TRIFLUOROMETHYL-ALPHA-(N-TERT-BUTYLMETHOXYIMINOCARBONYLTHIO)-PARA-METHYLBENZYLISOCYANATE
Comments SCALE INVERTED. MINOR ISOMER IN TAUTOMER MIXTURE (10%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19F3N2O2S
InChI InChI=1S/C16H19F3N2O2S/c1-11-6-8-12(9-7-11)15(20-10-22,16(17,18)19)24-13(23-5)21-14(2,3)4/h6-9H,1-5H3/b21-13-
InChIKey GSALGRJTPSULJQ-BKUYFWCQSA-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