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2,4,6-Trichlorobenzoic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

2,4,6-Trichlorobenzoic acid
SpectraBase Compound ID 9K5ky0xiYFo
InChI InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey RAFFVQBMVYYTQS-UHFFFAOYSA-N
Mol Weight 225.46 g/mol
Molecular Formula C7H3Cl3O2
Exact Mass 223.919862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eFVjJl8y
Name Benzoic acid, 2,4,6-trichloro-
Alternate Name(s) 2,4,6-Trichloro-benzoic acid 2,4,6-tris(chloranyl)benzoic acid
CAS Registry Number 50-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3Cl3O2
InChI InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey RAFFVQBMVYYTQS-UHFFFAOYSA-N
Molecular Weight 225.458 g/mol
SMILES OC(c1c(cc(cc1Cl)Cl)Cl)=O
SPLASH splash10-0a4i-4590000000-cb188056ff34762c1e3f
Wiley ID 1484816