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4,5-DIPHENYL-1,2,3,6-TETRAHYDRO-2,2-BIS(TRIFLUOROMETHYL)-1-[2,2,2-TRIFLUORO-1-TRIFLUOROMETHYL(ETHYLIDENAMINO)]PYRIDINE
SpectraBase Compound ID IFcWE7tH73R
InChI InChI=1S/C22H14F12N2/c23-19(24,25)17(20(26,27)28)35-36-12-16(14-9-5-2-6-10-14)15(13-7-3-1-4-8-13)11-18(36,21(29,30)31)22(32,33)34/h1-10H,11-12H2
InChIKey AMIJWMXGSYFXFP-UHFFFAOYSA-N
Mol Weight 534.35 g/mol
Molecular Formula C22H14F12N2
Exact Mass 534.096536 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48FMBlatPVm
Name 4,5-DIPHENYL-1,2,3,6-TETRAHYDRO-2,2-BIS(TRIFLUOROMETHYL)-1-[2,2,2-TRIFLUORO-1-TRIFLUOROMETHYL(ETHYLIDENAMINO)]PYRIDINE
Comments SCALE INVERTED, CIS AND TRANS CF3 ARE ASSIGNED EXACTLY
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H14F12N2
InChI InChI=1S/C22H14F12N2/c23-19(24,25)17(20(26,27)28)35-36-12-16(14-9-5-2-6-10-14)15(13-7-3-1-4-8-13)11-18(36,21(29,30)31)22(32,33)34/h1-10H,11-12H2
InChIKey AMIJWMXGSYFXFP-UHFFFAOYSA-N
Instrument Name Jeol C-60 HL
Literature Reference K.BURGER, O.DENGLER, D.HUBL (1982) J.Fluor.Chem.: v.19, N3, 589-599.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d