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ALPHA-TRIFLUOROMETHYL-ALPHA-(N-PHENYLETHOXYIMINOCARBONYLTHIO)-PARA-METHYLBENZYLISOCYANATE
SpectraBase Compound ID BojB4FrGXzv
InChI InChI=1S/C19H17F3N2O2S/c1-3-26-17(24-16-7-5-4-6-8-16)27-18(23-13-25,19(20,21)22)15-11-9-14(2)10-12-15/h4-12H,3H2,1-2H3/b24-17+
InChIKey MBOWPRSZKGEYFU-JJIBRWJFSA-N
Mol Weight 394.41 g/mol
Molecular Formula C19H17F3N2O2S
Exact Mass 394.096283 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID T9vnDQxlLW
Name ALPHA-TRIFLUOROMETHYL-ALPHA-(N-PHENYLETHOXYIMINOCARBONYLTHIO)-PARA-METHYLBENZYLISOCYANATE
Comments SCALE INVERTED. MINOR ISOMER IN TAUTOMER MIXTURE (27%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H17F3N2O2S
InChI InChI=1S/C19H17F3N2O2S/c1-3-26-17(24-16-7-5-4-6-8-16)27-18(23-13-25,19(20,21)22)15-11-9-14(2)10-12-15/h4-12H,3H2,1-2H3/b24-17+
InChIKey MBOWPRSZKGEYFU-JJIBRWJFSA-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