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1,2,4,5-Tetrakis(trifluoromethyl)benzene

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

1,2,4,5-Tetrakis(trifluoromethyl)benzene
SpectraBase Compound ID KygjhEn4bOD
InChI InChI=1S/C10H2F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)2-5(3)9(17,18)19/h1-2H
InChIKey GSZSSHONEMLEPL-UHFFFAOYSA-N
Mol Weight 350.11 g/mol
Molecular Formula C10H2F12
Exact Mass 349.996488 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K4wUR69J88r
Name 1,2,4,5-Tetrakis-(trifluoromethyl)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.996488020 u
Formula C10H2F12
InChI InChI=1S/C10H2F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)2-5(3)9(17,18)19/h1-2H
InChIKey GSZSSHONEMLEPL-UHFFFAOYSA-N
Molecular Weight 350.107 g/mol
SMILES C(F)(C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944803