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4-[(Trifluoromethyl)sulfanyl]benzoic acid

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

4-[(Trifluoromethyl)sulfanyl]benzoic acid
SpectraBase Compound ID 2JytqbMj8pA
InChI InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey UMOGQQWVQUQTQA-UHFFFAOYSA-N
Mol Weight 222.18 g/mol
Molecular Formula C8H5F3O2S
Exact Mass 221.996235 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID H86JoalGGt2
Name 4-[(Trifluoromethyl)sulfanyl]benzoic acid
Source of Sample Sigma-Aldrich Company Llc.
Catalog Number 555487
Lot Number 07626HO
CAS Registry Number 330-17-6
Copyright Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3O2S
InChI InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey UMOGQQWVQUQTQA-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity 97%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)