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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 8zHrqId16AF
Name 1,3-Bis(trifluoromethyl)-benzene
CAS Registry Number 402-31-3
Comments DATA TAKEN FROM THE LITERATURE
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
Literature Reference V.I. Dostovalova, L.A. Fedorov, J. Paasivirta, Magn. Res. Chem. 29, 830 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported