For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G1FeQzEIFi4
Name 1,3-Bis(trifluoromethyl)-benzene
CAS Registry Number 402-31-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 Jeol PFT-100
Literature Reference J. Bromilow, R.T. Brownlee, D.J. Craik, M.Sadek, Magn. Res. Chem. 24, 862 (1986)
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3