2,4,6-Trichlorobenzoic acid(50-43-1) IR1
Product Name2,4,6-Trichlorobenzoic acid
CAS50-43-1
Molecular FormulaC7H3Cl3O2
Molecular Weight225.46
InChIInChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey RAFFVQBMVYYTQS-UHFFFAOYSA-N
SmilesC(O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl
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MassMS-IW-6657 2,4,6-trichlorobenzoic acid C7H3Cl3O2 (Mass of molecular ion: 224)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.0 36.0 1.2 37.0 2.0 45.0 1.6 49.0 1.2 50.0 1.1 54.0 1.9 61.0 1.1 62.0 1.0 71.5 2.9 72.0 3.3 72.5 2.0 73.0 6.1 74.0 10.7 75.0 2.0 80.0 1.6 81.0 1.0 84.0 4.1 85.0 1.0 86.0 1.7 87.0 1.0 89.5 1.4 90.5 1.3 97.0 2.3 98.0 4.2 99.0 4.4 100.0 1.2 103.5 3.2 104.5 3.2 105.5 1.0 108.0 4.8 109.0 10.3 110.0 2.5 111.0 3.4 132.0 1.0 133.0 1.9 135.0 1.2 143.0 6.1 144.0 8.2 145.0 7.0 146.0 5.5 147.0 2.6 179.0 12.7 180.0 1.8 181.0 12.2 182.0 1.7 183.0 4.0 196.0 2.6 198.0 2.4 207.0 100.0 208.0 7.8 209.0 96.5 210.0 7.4 211.0 31.2 212.0 2.5 213.0 3.5 224.0 69.5 225.0 5.4 226.0 67.6 227.0 5.3 228.0 22.2 229.0 1.7 230.0 2.5
parameter in CDCl3
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1H NMR 300 MHz C7 H3 Cl3 O2 0.042 g : 0.5 ml CDCl3 2,4,6-trichlorobenzoic acid 
Parameter ppm Hz
D(A) 10.9 D(B) 7.396
Hz ppm Int.3269.99 10.900 18 2218.79 7.396 1000
in CDCl3
KBr disc
nujol mull
