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4-Chlorobenzotrifluoride

View entire compound with spectra: 14 NMR, 5 FTIR, 3 MS (GC), and 2 Near IR

4-Chlorobenzotrifluoride
SpectraBase Compound ID 4d6vcaQQ1wK
InChI InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey QULYNCCPRWKEMF-UHFFFAOYSA-N
Mol Weight 180.56 g/mol
Molecular Formula C7H4ClF3
Exact Mass 179.995362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDv0M9gPUuo
Name 4-Chloro-trifluoromethyl-benzene
CAS Registry Number 98-56-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H4ClF3
InChI InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey QULYNCCPRWKEMF-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