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1,3,5-TRIS[4,4,4-TRIFLUORO-1-PHENYL-3-TRIFLUOROMETHYL(2-AZA-1-BUTENYL)]HEXAHYDRO-1,3,5-TRIAZINE

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1,3,5-TRIS[4,4,4-TRIFLUORO-1-PHENYL-3-TRIFLUOROMETHYL(2-AZA-1-BUTENYL)]HEXAHYDRO-1,3,5-TRIAZINE
SpectraBase Compound ID CxcezQLaacS
InChI InChI=1S/C33H24F18N6/c34-28(35,36)25(29(37,38)39)52-22(19-10-4-1-5-11-19)55-16-56(23(20-12-6-2-7-13-20)53-26(30(40,41)42)31(43,44)45)18-57(17-55)24(21-14-8-3-9-15-21)54-27(32(46,47)48)33(49,50)51/h1-15,25-27H,16-18H2/b52-22+,53-23+,54-24+
InChIKey RPBGVMBEJYKFKX-LRRAQVNWSA-N
Mol Weight 846.6 g/mol
Molecular Formula C33H24F18N6
Exact Mass 846.177502 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B49wfCDtoEK
Name 1,3,5-TRIS[4,4,4-TRIFLUORO-1-PHENYL-3-TRIFLUOROMETHYL(2-AZA-1-BUTENYL)]HEXAHYDRO-1,3,5-TRIAZINE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H24F18N6
InChI InChI=1S/C33H24F18N6/c34-28(35,36)25(29(37,38)39)52-22(19-10-4-1-5-11-19)55-16-56(23(20-12-6-2-7-13-20)53-26(30(40,41)42)31(43,44)45)18-57(17-55)24(21-14-8-3-9-15-21)54-27(32(46,47)48)33(49,50)51/h1-15,25-27H,16-18H2/b52-22+,53-23+,54-24+
InChIKey RPBGVMBEJYKFKX-LRRAQVNWSA-N
Instrument Name Jeol C-60 HL
Literature Reference K.BURGER, S.PENNINGER, M.CREISEL, E.DALTROZZO (1980) J.Fluor.Chem.: v.15, N1, 1-27.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d