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P-Toluene-sulfonic acid, 2,2,2-trifluoroethyl ester

View entire compound with spectra: 6 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

P-Toluene-sulfonic acid, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID IM4vvSeAj3k
InChI InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
InChIKey IGKCQDUYZULGBM-UHFFFAOYSA-N
Mol Weight 254.22 g/mol
Molecular Formula C9H9F3O3S
Exact Mass 254.02245 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID uj3zNv4AGn
Name 2,2,2-Trifluoroethyl p-toluenesulfonate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 177822
CAS Registry Number 433-06-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9F3O3S
InChI InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
InChIKey IGKCQDUYZULGBM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002181