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1,2,3,4,5,6-Hexakis(4-(trifluoromethyl)phenyl)benzene

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1,2,3,4,5,6-Hexakis(4-(trifluoromethyl)phenyl)benzene
SpectraBase Compound ID 10oX5dHSDrh
InChI InChI=1S/C48H24F18/c49-43(50,51)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(52,53)54)40(28-7-19-34(20-8-28)46(58,59)60)42(30-11-23-36(24-12-30)48(64,65)66)41(29-9-21-35(22-10-29)47(61,62)63)39(37)27-5-17-33(18-6-27)45(55,56)57/h1-24H
InChIKey WZFLBWUZELQTGZ-UHFFFAOYSA-N
Mol Weight 942.7 g/mol
Molecular Formula C48H24F18
Exact Mass 942.159058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25RCi0a0sW1
Name 1,2,3,4,5,6-Hexakis(4-(trifluoromethyl)phenyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 942.159057707 u
Formula C48H24F18
InChI InChI=1S/C48H24F18/c49-43(50,51)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(52,53)54)40(28-7-19-34(20-8-28)46(58,59)60)42(30-11-23-36(24-12-30)48(64,65)66)41(29-9-21-35(22-10-29)47(61,62)63)39(37)27-5-17-33(18-6-27)45(55,56)57/h1-24H
InChIKey WZFLBWUZELQTGZ-UHFFFAOYSA-N
Molecular Weight 942.691 g/mol
SMILES C=1(C(=C(C(=C(C1C=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)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F