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3-(Trifluoromethyl)benzenesulfonyl chloride

View entire compound with spectra: 2 NMR, 5 FTIR, 1 Raman, and 2 MS (GC)

3-(Trifluoromethyl)benzenesulfonyl chloride
SpectraBase Compound ID COl5NvBWJZh
InChI InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKey ONCAZCNPWWQQMW-UHFFFAOYSA-N
Mol Weight 244.62 g/mol
Molecular Formula C7H4ClF3O2S
Exact Mass 243.957263 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7a2b5aEV6RY
Name 3-(Trifluoromethyl)benzenesulfonyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 385417
CAS Registry Number 777-44-6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClF3O2S
InChI 1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKey ONCAZCNPWWQQMW-UHFFFAOYSA-N
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008388