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2-Chloro-5-nitro-alpha,alpha,alpha-trifluorotoluene
SpectraBase Compound ID EFH282ilqgD
InChI InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey HQROXDLWVGFPDE-UHFFFAOYSA-N
Mol Weight 225.55 g/mol
Molecular Formula C7H3ClF3NO2
Exact Mass 224.980441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BwuUNkaTtT
Name 4-Chloro-3-trifluoromethyl-nitrobenzene
CAS Registry Number 777-37-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H3ClF3NO2
InChI InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey HQROXDLWVGFPDE-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