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3-TRIFLUOROMETHYL-1-(2,2,2-TRIFLUORO-1-TRIFLUOROMETHYLETHYL)-4,5,6,7,8,9-HEXAHYDRO-1H-CYCLOOCTA[C]PYRAZOLE
SpectraBase Compound ID Fqn8ZDpuAnx
InChI InChI=1S/C13H13F9N2/c14-11(15,16)9-7-5-3-1-2-4-6-8(7)24(23-9)10(12(17,18)19)13(20,21)22/h10H,1-6H2
InChIKey BOPOPRQRIHWVRW-UHFFFAOYSA-N
Mol Weight 368.25 g/mol
Molecular Formula C13H13F9N2
Exact Mass 368.093502 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PdzKLVWHvs
Name 3-TRIFLUOROMETHYL-1-(2,2,2-TRIFLUORO-1-TRIFLUOROMETHYLETHYL)-4,5,6,7,8,9-HEXAHYDRO-1H-CYCLOOCTA[C]PYRAZOLE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H13F9N2
InChI InChI=1S/C13H13F9N2/c14-11(15,16)9-7-5-3-1-2-4-6-8(7)24(23-9)10(12(17,18)19)13(20,21)22/h10H,1-6H2
InChIKey BOPOPRQRIHWVRW-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