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1,3,5-Tris(3-(trifluoromethyl)phenyl) benzene

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

1,3,5-Tris(3-(trifluoromethyl)phenyl) benzene
SpectraBase Compound ID 1PaBohLaomo
InChI InChI=1S/C27H15F9/c28-25(29,30)22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(14-17)26(31,32)33)12-21(11-19)18-6-3-9-24(15-18)27(34,35)36/h1-15H
InChIKey CHBXOAAXZUZZOX-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 9X8P6U04Wxi
Name 1,3,5-Tris(3-(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)22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(14-17)26(31,32)33)12-21(11-19)18-6-3-9-24(15-18)27(34,35)36/h1-15H
InChIKey CHBXOAAXZUZZOX-UHFFFAOYSA-N
Molecular Weight 510.403 g/mol
SMILES C=1(C=C(C=C(C1)C=1C=C(C=CC1)C(F)(F)F)C=1C=C(C=CC1)C(F)(F)F)C=1C=C(C=CC1)C(F)(F)F