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1-(3-Trifluoromethylphenyl)-2-[4-(trifluoromethyl)phenyl]anthraquinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(3-Trifluoromethylphenyl)-2-[4-(trifluoromethyl)phenyl]anthraquinone
SpectraBase Compound ID 6IQdee4tSDK
InChI InChI=1S/C28H14F6O2/c29-27(30,31)17-10-8-15(9-11-17)19-12-13-22-24(26(36)21-7-2-1-6-20(21)25(22)35)23(19)16-4-3-5-18(14-16)28(32,33)34/h1-14H
InChIKey SLSCTNXKWNMFCI-UHFFFAOYSA-N
Mol Weight 496.41 g/mol
Molecular Formula C28H14F6O2
Exact Mass 496.089799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTMwlf4kj0b
Name 1-(3-Trifluoromethylphenyl)-2-[4-(trifluoromethyl)phenyl]anthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.089798667 u
Formula C28H14F6O2
InChI InChI=1S/C28H14F6O2/c29-27(30,31)17-10-8-15(9-11-17)19-12-13-22-24(26(36)21-7-2-1-6-20(21)25(22)35)23(19)16-4-3-5-18(14-16)28(32,33)34/h1-14H
InChIKey SLSCTNXKWNMFCI-UHFFFAOYSA-N
Molecular Weight 496.408 g/mol
SMILES C=12C(C=3C=CC=CC3C(C2=CC=C(C1C=1C=C(C(F)(F)F)C=CC1)C1=CC=C(C(F)(F)F)C=C1)=O)=O