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5-Fluoro-2-(trifluoromethyl)benzoyl chloride

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

5-Fluoro-2-(trifluoromethyl)benzoyl chloride
SpectraBase Compound ID 9EI6ZzSr29v
InChI InChI=1S/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H
InChIKey VHTVVTDYYXQDHS-UHFFFAOYSA-N
Mol Weight 226.56 g/mol
Molecular Formula C8H3ClF4O
Exact Mass 225.980855 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HCEf415uuIw
Name 5-Fluoro-2-(trifluoromethyl)benzoyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 455407
CAS Registry Number 216144-70-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF4O
InChI InChI=1S/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H
InChIKey VHTVVTDYYXQDHS-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_010041