2,2',4'-Trichloroacetophenone(4252-78-2) 13C NMR
Molecular FormulaC8H5Cl3O
Molecular Weight223.48
InChIInChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKey VYWPPRLJNVHPEU-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(Cl)C=C1Cl)CCl
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Mass
MS-NW-8929
2,2',4'-trichloroacetophenone
C8H5Cl3O (Mass of molecular ion: 222)
Source Temperature: 260 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
42.0 1.3
49.0 1.8
50.0 3.1
51.0 1.2
62.0 1.4
63.0 2.1
73.0 2.4
74.0 9.0
75.0 10.1
84.0 2.4
85.0 2.0
86.0 1.3
87.0 1.3
89.0 2.0
99.0 1.1
109.0 12.4
110.0 4.6
111.0 4.6
112.0 1.4
123.0 2.4
124.0 1.0
145.0 21.2
146.0 1.9
147.0 13.5
148.0 1.0
149.0 2.2
159.0 3.2
161.0 1.9
173.0 100.0
174.0 7.8
175.0 64.2
176.0 5.0
177.0 10.5