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4-(Trifluoromethyl)benzoyl chloride

View entire compound with spectra: 8 NMR, 9 FTIR, and 2 Raman

4-(Trifluoromethyl)benzoyl chloride
SpectraBase Compound ID 3Eiy8nOW6tI
InChI InChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChIKey OXZYBOLWRXENKT-UHFFFAOYSA-N
Mol Weight 208.57 g/mol
Molecular Formula C8H4ClF3O
Exact Mass 207.990277 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4AG0vU5hPhI
Name 4-(Trifluoromethyl)benzoyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 249475
CAS Registry Number 329-15-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4ClF3O
InChI 1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChIKey OXZYBOLWRXENKT-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-p-toluoyl chloride
Wiley ID SIAL_13CNMR_004249