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1,2,3-Tris(4-(trifluoromethyl)phenyl)benzene

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

1,2,3-Tris(4-(trifluoromethyl)phenyl)benzene
SpectraBase Compound ID Aqq1b6Ga017
InChI InChI=1S/C27H15F9/c28-25(29,30)19-10-4-16(5-11-19)22-2-1-3-23(17-6-12-20(13-7-17)26(31,32)33)24(22)18-8-14-21(15-9-18)27(34,35)36/h1-15H
InChIKey URFIXYZQAUPONH-UHFFFAOYSA-N
Mol Weight 510.4 g/mol
Molecular Formula C27H15F9
Exact Mass 510.103004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8zNQj7RHXV
Name 1,2,3-Tris(4-(trifluoromethyl)phenyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.103003950 u
Formula C27H15F9
InChI InChI=1S/C27H15F9/c28-25(29,30)19-10-4-16(5-11-19)22-2-1-3-23(17-6-12-20(13-7-17)26(31,32)33)24(22)18-8-14-21(15-9-18)27(34,35)36/h1-15H
InChIKey URFIXYZQAUPONH-UHFFFAOYSA-N
Molecular Weight 510.403 g/mol
SMILES C=1(C(=C(C=CC1)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F