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1H-Pyrazole, 3-phenyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID ICP8jg2XnEe
InChI InChI=1S/C16H7F7N2/c17-11-10(16(21,22)23)12(18)14(20)15(13(11)19)25-7-6-9(24-25)8-4-2-1-3-5-8/h1-7H
InChIKey CFQJHTVZRGNEAL-UHFFFAOYSA-N
Mol Weight 360.23 g/mol
Molecular Formula C16H7F7N2
Exact Mass 360.049745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaEoPsXRwK8
Name 1H-Pyrazole, 3-phenyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.049745374 u
Formula C16H7F7N2
InChI InChI=1S/C16H7F7N2/c17-11-10(16(21,22)23)12(18)14(20)15(13(11)19)25-7-6-9(24-25)8-4-2-1-3-5-8/h1-7H
InChIKey CFQJHTVZRGNEAL-UHFFFAOYSA-N
Molecular Weight 360.235 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)N1C=CC(C2=CC=CC=C2)=N1)F)F)C(F)(F)F