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2,2',4-Tris(trifluoromethyl)biphenyl

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

2,2',4-Tris(trifluoromethyl)biphenyl
SpectraBase Compound ID ZcHDSsC1C
InChI InChI=1S/C15H7F9/c16-13(17,18)8-5-6-10(12(7-8)15(22,23)24)9-3-1-2-4-11(9)14(19,20)21/h1-7H
InChIKey ASRHMNKWJYFJMY-UHFFFAOYSA-N
Mol Weight 358.21 g/mol
Molecular Formula C15H7F9
Exact Mass 358.040404 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8FDU2FXfryC
Name 2,2',4-Tris(trifluoromethyl)biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.040403692 u
Formula C15H7F9
InChI InChI=1S/C15H7F9/c16-13(17,18)8-5-6-10(12(7-8)15(22,23)24)9-3-1-2-4-11(9)14(19,20)21/h1-7H
InChIKey ASRHMNKWJYFJMY-UHFFFAOYSA-N
Molecular Weight 358.207 g/mol
SMILES C=1(C(=CC(=CC1)C(F)(F)F)C(F)(F)F)C=1C(=CC=CC1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95122