Methyl trichloroacetate(598-99-2) IR1
Product NameMethyl trichloroacetate
CAS598-99-2
Molecular FormulaC3H3Cl3O2
Molecular Weight177.41
InChIInChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey VHFUHRXYRYWELT-UHFFFAOYSA-N
SmilesC(OC)(=O)C(Cl)(Cl)Cl
-
MassMS-NW-5416 methyl trichloroacetate C3H3Cl3O2 (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 30.9 28.0 2.2 29.0 3.6 30.0 1.0 35.0 1.7 36.0 1.3 44.0 1.3 47.0 8.7 49.0 3.0 59.0 100.0 60.0 2.4 61.0 2.1 63.0 5.3 65.0 1.7 82.0 11.8 83.0 1.1 84.0 7.7 86.0 1.3 97.0 1.0 110.0 1.7 112.0 1.1 113.0 5.2 115.0 3.3 117.0 22.8 119.0 22.0 121.0 6.9 141.0 6.3 143.0 4.2
parameter in CDCl3
-
1H NMR 300 MHz C3 H3 Cl3 O2 0.04 ml : 0.5 ml CDCl3 methyl trichloroacetate 
Parameter ppm Hz
D(A) 4.005
Hz ppm Int.1201.50 4.005 1000
in CDCl3
liquid film
