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2-chloro-5-[(trichloromethyl)thio]benzoic acid

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2-chloro-5-[(trichloromethyl)thio]benzoic acid
SpectraBase Compound ID LQA3S46vAZk
InChI InChI=1S/C8H4Cl4O2S/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey WJZYPRGDEHKUFJ-UHFFFAOYSA-N
Mol Weight 306.0 g/mol
Molecular Formula C8H4Cl4O2S
Exact Mass 303.868611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOevhpz7jB2
Name 2-CHLORO-5-[(TRICHLOROMETHYL)THIO]BENZOIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4Cl4O2S
InChI InChI=1S/C8H4Cl4O2S/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey WJZYPRGDEHKUFJ-UHFFFAOYSA-N
Molecular Weight 306.00
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, 2-CHLORO-5-//TRICHLOROMETHYL/THIO/-,