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4,5-DIMETHYL-1,2,3,6-TETRAHYDRO-2,2-BIS(TRIFLUOROMETHYL)-1-[2,2,2-TRIFLUORO-1-TRIFLUOROMETHYL(ETHYLIDENAMINO)]PYRIDINE
SpectraBase Compound ID 278FCp1cFv0
InChI InChI=1S/C12H10F12N2/c1-5-3-8(11(19,20)21,12(22,23)24)26(4-6(5)2)25-7(9(13,14)15)10(16,17)18/h3-4H2,1-2H3
InChIKey ZLCACBAULLMBNI-UHFFFAOYSA-N
Mol Weight 410.21 g/mol
Molecular Formula C12H10F12N2
Exact Mass 410.065236 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvgPiV3A4bi
Name 4,5-DIMETHYL-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 C12H10F12N2
InChI InChI=1S/C12H10F12N2/c1-5-3-8(11(19,20)21,12(22,23)24)26(4-6(5)2)25-7(9(13,14)15)10(16,17)18/h3-4H2,1-2H3
InChIKey ZLCACBAULLMBNI-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