2,3,5-TRICHLOROPHENOL(933-78-8) IR2
Product Name2,3,5-TRICHLOROPHENOL
CAS933-78-8
Molecular FormulaC6H3Cl3O
Molecular Weight197.45
InChIInChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
InChIKey WWGQHTJIFOQAOC-UHFFFAOYSA-N
SmilesC1(O)=CC(Cl)=CC(Cl)=C1Cl
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MassMS-NW-6788 2,3,5-trichlorophenol C6H3Cl3O (Mass of molecular ion: 196)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.4 28.0 1.8 29.0 1.2 35.0 1.2 36.0 2.7 37.0 4.2 38.0 2.4 44.0 1.9 47.0 1.4 48.0 7.6 48.5 1.5 49.0 4.0 50.0 1.4 53.0 2.3 60.0 2.7 61.0 8.4 62.0 11.4 63.0 6.1 66.0 4.0 67.0 2.6 72.0 2.9 73.0 6.8 74.0 2.3 75.0 1.9 80.0 3.1 81.0 2.1 83.0 2.3 84.0 1.6 85.0 1.6 87.0 3.4 89.0 1.2 90.0 1.3 96.0 3.4 97.0 29.5 98.0 6.1 99.0 12.6 100.0 1.9 107.0 3.4 108.0 1.1 109.0 2.7 125.0 3.6 126.0 1.0 127.0 1.4 131.0 1.1 132.0 11.7 133.0 11.0 134.0 7.9 135.0 6.8 136.0 1.8 137.0 1.2 160.0 31.0 161.0 2.8 162.0 21.1 163.0 1.8 164.0 4.3 167.0 2.7 169.0 2.5 196.0 100.0 197.0 7.4 198.0 95.2 199.0 6.9 200.0 31.2 201.0 2.3 202.0 3.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl3 O 0.040 g : 0.5 ml CDCl3 2,3,5-trichlorophenol 
Assign. Shift(ppm)
A 7.053 B 6.962 C 5.74 J(A,B)=2.4HZ.
Hz ppm Int.633.19 7.071 570 630.81 7.044 1000 628.88 7.022 30 624.44 6.973 982 622.06 6.946 576 514.38 5.744 730
in CDCl3
KBr disc
nujol mull
