Methyl trichloroacetate(598-99-2) IR1
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
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Mass
MS-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
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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