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alpha,alpha,alpha-TRIFLUOROTOLUENE

View entire compound with spectra: 122 NMR, 7 FTIR, 1 Raman, and 15 MS (GC)

alpha,alpha,alpha-TRIFLUOROTOLUENE
SpectraBase Compound ID BQQFbpyzZm6
InChI InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey GETTZEONDQJALK-UHFFFAOYSA-N
Mol Weight 146.11 g/mol
Molecular Formula C7H5F3
Exact Mass 146.034335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KABDnIAXO2a
Name Trifluoromethyl-benzene
CAS Registry Number 98-08-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H5F3
InChI InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey GETTZEONDQJALK-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.A. Newmark, J.R. Hill, Org. Magn. Resonance 9, 589 (1977).
NMR Standard Benzene-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid