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5-Isobutyl-3-trifluoromethyl-1-(2,2,2-trifluoro-1-trifluoromethylethyl)pyrazole

View entire compound with spectra: 2 NMR

5-Isobutyl-3-trifluoromethyl-1-(2,2,2-trifluoro-1-trifluoromethylethyl)pyrazole
SpectraBase Compound ID G5xTgpVn5ch
InChI InChI=1S/C11H11F9N2/c1-5(2)3-6-4-7(9(12,13)14)21-22(6)8(10(15,16)17)11(18,19)20/h4-5,8H,3H2,1-2H3
InChIKey NZTQDMOGRAQMOG-UHFFFAOYSA-N
Mol Weight 342.21 g/mol
Molecular Formula C11H11F9N2
Exact Mass 342.077852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OFnBOG3T4t
Name 5-Isobutyl-3-trifluoromethyl-1-(2,2,2-trifluoro-1-trifluoromethylethyl)pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 342.077851829 u
Formula C11H11F9N2
InChI InChI=1S/C11H11F9N2/c1-5(2)3-6-4-7(9(12,13)14)21-22(6)8(10(15,16)17)11(18,19)20/h4-5,8H,3H2,1-2H3
InChIKey NZTQDMOGRAQMOG-UHFFFAOYSA-N
Molecular Weight 342.209 g/mol
SMILES C=1(N(N=C(C1)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)CC(C)C