2,3,5,6-TETRACHLOROPHENOL(935-95-5) MS
Product Name2,3,5,6-TETRACHLOROPHENOL
CAS935-95-5
Molecular FormulaC6H2Cl4O
Molecular Weight231.89
InChIInChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey KEWNKZNZRIAIAK-UHFFFAOYSA-N
SmilesC1(O)=C(Cl)C(Cl)=CC(Cl)=C1Cl
-
MassMS-NW-8744 2,3,5,6-tetrachlorophenol C6H2Cl4O (Mass of molecular ion: 230)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 1.6 36.0 3.0 37.0 2.5 47.0 1.2 48.0 3.3 49.0 2.1 60.0 3.1 61.0 8.1 62.0 3.8 65.0 9.0 65.5 1.9 66.0 6.2 66.5 1.2 67.0 1.2 71.0 1.4 72.0 2.4 73.0 2.6 83.0 8.8 84.0 7.5 85.0 3.3 87.0 3.9 89.0 1.5 95.0 2.9 96.0 9.2 97.0 7.6 98.0 5.7 99.0 2.3 107.0 5.4 108.0 1.8 109.0 3.4 115.0 3.2 116.0 4.0 117.0 2.2 124.0 1.4 130.0 1.1 131.0 25.9 132.0 2.5 133.0 16.8 134.0 1.2 135.0 2.8 143.0 1.1 166.0 19.4 167.0 5.4 168.0 18.8 169.0 5.0 170.0 6.2 171.0 1.6 194.0 19.3 195.0 1.5 196.0 18.9 197.0 1.3 198.0 6.2 201.0 1.6 203.0 2.0 205.0 1.0 230.0 77.9 231.0 5.4 232.0 100.0 233.0 6.6 234.0 47.9 235.0 3.2 236.0 10.5 310.0 1.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H2 Cl4 O 0.039 g : 0.5 ml CDCl3 2,3,5,6-tetrachlorophenol 
Assign. Shift(ppm)
A 7.214 B 5.95
Hz ppm Int.2883.30 7.215 1000 2376.95 5.948 80
in CDCl3
KBr disc
nujol mull
