2,3,4,5-TETRACHLOROPHENOL(4901-51-3) IR2
Product Name2,3,4,5-TETRACHLOROPHENOL
CAS4901-51-3
Molecular FormulaC6H2Cl4O
Molecular Weight231.89
InChIInChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
InChIKey RULKYXXCCZZKDZ-UHFFFAOYSA-N
SmilesC1(O)=CC(Cl)=C(Cl)C(Cl)=C1Cl
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MassMS-NW-6752 2,3,4,5-tetrachlorophenol C6H2Cl4O (Mass of molecular ion: 230)
Source Temperature: 200 °C Sample Temperature: 200 °C Reservoir, 75 eV
18.0 3.6 29.0 1.9 35.0 2.7 36.0 4.2 37.0 3.7 38.0 1.1 47.0 2.7 48.0 5.3 49.0 3.1 53.0 2.1 60.0 6.1 61.0 16.5 62.0 5.7 65.0 5.5 65.5 1.5 66.0 4.2 66.5 1.2 67.0 1.1 71.0 3.6 72.0 4.0 73.0 4.0 74.0 1.3 83.0 6.8 84.0 4.6 85.0 3.6 87.0 4.5 89.0 1.9 90.0 1.2 95.0 3.9 96.0 16.1 97.0 11.2 98.0 7.6 99.0 3.7 100.0 1.1 106.0 2.1 107.0 7.8 108.0 3.1 109.0 5.0 110.0 1.0 111.0 1.0 115.0 2.0 116.0 2.5 117.0 1.7 118.0 1.7 119.0 1.0 120.0 1.0 124.0 1.3 130.0 1.5 131.0 34.7 132.0 3.6 133.0 22.6 134.0 2.2 135.0 4.2 141.0 1.6 143.0 2.0 160.0 1.8 162.0 1.2 166.0 17.0 167.0 11.6 168.0 16.8 169.0 11.0 170.0 5.9 171.0 3.7 194.0 21.2 195.0 2.1 196.0 20.9 197.0 1.9 198.0 7.8 200.0 1.3 201.0 3.0 203.0 3.7 205.0 1.8 230.0 81.1 231.0 5.8 232.0 100.0 233.0 7.3 234.0 47.8 235.0 3.7 236.0 10.7 238.0 1.1
parameter in CDCl3
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1H NMR 300 MHz C6 H2 Cl4 O 0.038 g : 0.5 ml CDCl3 2,3,4,5-tetrachlorophenol 
Parameter ppm Hz
D(A) 7.126 D(B) 5.68
Hz ppm Int.2137.80 7.126 1000 1703.99 5.680 750
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
