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1,2,4,5-Tetrakis((4-trifluoromethyl)phenyl)benzene

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1,2,4,5-Tetrakis((4-trifluoromethyl)phenyl)benzene
SpectraBase Compound ID LtChyZMwQoY
InChI InChI=1S/C34H18F12/c35-31(36,37)23-9-1-19(2-10-23)27-17-29(21-5-13-25(14-6-21)33(41,42)43)30(22-7-15-26(16-8-22)34(44,45)46)18-28(27)20-3-11-24(12-4-20)32(38,39)40/h1-18H
InChIKey AHGFIDXIDXLDQR-UHFFFAOYSA-N
Mol Weight 654.5 g/mol
Molecular Formula C34H18F12
Exact Mass 654.121689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFvh0sberxT
Name 1,2,4,5-Tetrakis((4-trifluoromethyl)phenyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 654.121688536 u
Formula C34H18F12
InChI InChI=1S/C34H18F12/c35-31(36,37)23-9-1-19(2-10-23)27-17-29(21-5-13-25(14-6-21)33(41,42)43)30(22-7-15-26(16-8-22)34(44,45)46)18-28(27)20-3-11-24(12-4-20)32(38,39)40/h1-18H
InChIKey AHGFIDXIDXLDQR-UHFFFAOYSA-N
Molecular Weight 654.499 g/mol
SMILES C=1(C(=CC(=C(C1)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F