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1,3-Bis(trifluoromethyl)benzene

View entire compound with spectra: 38 NMR, 6 FTIR, 2 Raman, and 1 MS (GC)

1,3-Bis(trifluoromethyl)benzene
SpectraBase Compound ID LMMfKTTq3PL
InChI InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
InChIKey SJBBXFLOLUTGCW-UHFFFAOYSA-N
Mol Weight 214.11 g/mol
Molecular Formula C8H4F6
Exact Mass 214.021719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5CG6M50ZP8
Name 1,3-Bis(trifluoromethyl)-benzene
CAS Registry Number 402-31-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H4F6
InChI InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
InChIKey SJBBXFLOLUTGCW-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference D. Doddrell, M. Barfield, W. Adcock, J. Chem. Soc. Perkin II 1976, 402.
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3