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

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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JG9lWYjvYPw
Name p-TOLUENESULFONIC ACID, 2,2,2-TRIFLUOROETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 87-92C/0.1mm
Copyright Copyright © 1980, 1981-2025 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
Melting Point 36-38C
Molecular Weight 254.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-TOLUENESULFONIC ACID, 2,2,2-TRIFLUOROETHYL ESTER