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(Z)-1,4-Di(3-trifluoromethylphenyl)-2,3-diphenyl-2-butene-1,4-dione

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

(Z)-1,4-Di(3-trifluoromethylphenyl)-2,3-diphenyl-2-butene-1,4-dione
SpectraBase Compound ID LNDOavaSQcF
InChI InChI=1S/C30H18F6O2/c31-29(32,33)23-15-7-13-21(17-23)27(37)25(19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)28(38)22-14-8-16-24(18-22)30(34,35)36/h1-18H/b26-25-
InChIKey UZTSKFPJPGIKTP-QPLCGJKRSA-N
Mol Weight 524.46 g/mol
Molecular Formula C30H18F6O2
Exact Mass 524.121099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9X4Up387j9y
Name (Z)-1,4-di(3-Trifluoromethylphenyl)-2,3-diphenyl-2-butene-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.121098796 u
Formula C30H18F6O2
InChI InChI=1S/C30H18F6O2/c31-29(32,33)23-15-7-13-21(17-23)27(37)25(19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)28(38)22-14-8-16-24(18-22)30(34,35)36/h1-18H/b26-25-
InChIKey UZTSKFPJPGIKTP-QPLCGJKRSA-N
Molecular Weight 524.462 g/mol
SMILES C(\C(=C/(C(C=1C=C(C(F)(F)F)C=CC1)=O)C=1C=CC=CC1)C1=CC=CC=C1)(C=1C=C(C(F)(F)F)C=CC1)=O