2,4,5-Trichlorophenol(95-95-4) MS
Product Name2,4,5-Trichlorophenol
CAS95-95-4
Molecular FormulaC6H3Cl3O
Molecular Weight197.45
InChIInChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey LHJGJYXLEPZJPM-UHFFFAOYSA-N
SmilesC1(O)=CC(Cl)=C(Cl)C=C1Cl
-
MassMS-NW-1449 2,4,5-trichlorophenol C6H3Cl3O (Mass of molecular ion: 196)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 1.2 29.0 1.3 36.0 1.8 37.0 5.2 38.0 1.7 47.0 1.6 48.0 9.7 48.5 1.8 49.0 4.9 50.0 2.0 53.0 5.9 60.0 3.0 61.0 10.8 62.0 14.5 63.0 6.4 66.0 4.8 67.0 2.9 71.0 1.4 72.0 4.3 73.0 7.8 74.0 2.3 75.0 2.1 80.0 2.7 81.0 1.7 83.0 3.0 84.0 1.4 85.0 2.1 87.0 1.3 96.0 3.4 97.0 42.1 98.0 7.0 99.0 16.8 100.0 2.3 107.0 4.4 108.0 1.1 109.0 3.1 132.0 27.0 133.0 14.2 134.0 17.9 135.0 9.1 136.0 3.3 137.0 1.5 160.0 5.0 161.0 1.5 162.0 3.5 163.0 1.0 167.0 2.7 169.0 2.7 192.0 1.5 196.0 100.0 197.0 6.9 198.0 95.0 199.0 6.4 200.0 30.4 201.0 2.0 202.0 3.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H3 Cl3 O 0.042 g : 0.5 ml CDCl3 2,4,5-trichlorophenol 
Assign. Shift(ppm)
A 7.41 B 7.13 C 5.57
Hz ppm Int.663.19 7.405 1000 638.50 7.130 908 636.56 7.108 30 498.75 5.569 283
in CDCl3
CCl4 solution
KBr disc
nujol mull
