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

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1,3,5-TRIS[4,4,4-TRIFLUORO-1-(4-METHYLPHENYL)-3-TRIFLUOROMETHYL(2-AZA-1-BUTENYL)]HEXAHYDRO-1,3,5-TRIAZINE
SpectraBase Compound ID FFMQbEKdBCb
InChI InChI=1S/C36H30F18N6/c1-19-4-10-22(11-5-19)25(55-28(31(37,38)39)32(40,41)42)58-16-59(26(23-12-6-20(2)7-13-23)56-29(33(43,44)45)34(46,47)48)18-60(17-58)27(24-14-8-21(3)9-15-24)57-30(35(49,50)51)36(52,53)54/h4-15,28-30H,16-18H2,1-3H3/b55-25+,56-26+,57-27+
InChIKey WUMAKMJDFLSPFH-UMMPQNSFSA-N
Mol Weight 888.6 g/mol
Molecular Formula C36H30F18N6
Exact Mass 888.224452 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9TyBY1ZVPM
Name 1,3,5-TRIS[4,4,4-TRIFLUORO-1-(4-METHYLPHENYL)-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 C36H30F18N6
InChI InChI=1S/C36H30F18N6/c1-19-4-10-22(11-5-19)25(55-28(31(37,38)39)32(40,41)42)58-16-59(26(23-12-6-20(2)7-13-23)56-29(33(43,44)45)34(46,47)48)18-60(17-58)27(24-14-8-21(3)9-15-24)57-30(35(49,50)51)36(52,53)54/h4-15,28-30H,16-18H2,1-3H3/b55-25+,56-26+,57-27+
InChIKey WUMAKMJDFLSPFH-UMMPQNSFSA-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