For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ALPHA-TRIFLUOROMETHYL-ALPHA-[N-(PARA-TOLYL)METHOXYIMINOCARBONYLTHIO]-PARA-METHYLBENZYLISOCYANATE
SpectraBase Compound ID DUCiMYyUyJ2
InChI InChI=1S/C19H17F3N2O2S/c1-13-4-8-15(9-5-13)18(23-12-25,19(20,21)22)27-17(26-3)24-16-10-6-14(2)7-11-16/h4-11H,1-3H3/b24-17+
InChIKey LEEBPPVGHDZJJO-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID n7WV2BjclO
Name ALPHA-TRIFLUOROMETHYL-ALPHA-[N-(PARA-TOLYL)METHOXYIMINOCARBONYLTHIO]-PARA-METHYLBENZYLISOCYANATE
Comments SCALE INVERTED. MINOR ISOMER IN TAUTOMER MIXTURE (36%).;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H17F3N2O2S
InChI InChI=1S/C19H17F3N2O2S/c1-13-4-8-15(9-5-13)18(23-12-25,19(20,21)22)27-17(26-3)24-16-10-6-14(2)7-11-16/h4-11H,1-3H3/b24-17+
InChIKey LEEBPPVGHDZJJO-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