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3-BUTYL-5,5-BIS(TRIFLUOROMETHYL)-2-(2,2,2-TRIFLUORO-1-TRIFLUOROMETHYLETHYL)-1H-3-PYRAZOLINE
SpectraBase Compound ID 4KZHm1sqbu2
InChI InChI=1S/C12H12F12N2/c1-2-3-4-6-5-8(11(19,20)21,12(22,23)24)25-26(6)7(9(13,14)15)10(16,17)18/h5,7,25H,2-4H2,1H3
InChIKey YBPKOUAHKFTHEO-UHFFFAOYSA-N
Mol Weight 412.22 g/mol
Molecular Formula C12H12F12N2
Exact Mass 412.080886 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0uZAL5ABdQ
Name 3-BUTYL-5,5-BIS(TRIFLUOROMETHYL)-2-(2,2,2-TRIFLUORO-1-TRIFLUOROMETHYLETHYL)-1H-3-PYRAZOLINE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12F12N2
InChI InChI=1S/C12H12F12N2/c1-2-3-4-6-5-8(11(19,20)21,12(22,23)24)25-26(6)7(9(13,14)15)10(16,17)18/h5,7,25H,2-4H2,1H3
InChIKey YBPKOUAHKFTHEO-UHFFFAOYSA-N
Instrument Name Jeol C-60 HL
Literature Reference K.BURGER, F.HEIN, O.DENGLER, J.ELGUERO (1982) J.Fluor.Chem.: v.19, N3, 437-449.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d