2',3',4'-三氯苯乙酮(13608-87-2)紅外圖譜(IR2)
InChI:InChI=1S/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
InChIKey: BXJZZJYNVIDEKG-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=C(Cl)C(Cl)=C1Cl)C
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Mass
MS-NW-6755
2',3',4'-trichloroacetophenone
C8H5Cl3O (Mass of molecular ion: 222)
Source Temperature: 200 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 2.6
36.0 1.1
37.0 1.8
42.0 1.5
43.0 46.9
44.0 1.2
49.0 1.3
50.0 1.5
61.0 2.2
62.0 1.4
71.5 1.7
72.0 2.1
72.5 1.2
73.0 4.8
74.0 10.9
75.0 2.0
84.0 4.8
85.0 1.8
86.0 2.1
97.0 1.8
98.0 1.1
103.5 3.0
104.5 2.9
108.0 5.5
109.0 9.3
110.0 2.5
111.0 3.3
123.0 1.6
143.0 7.1
144.0 5.8
145.0 5.8
146.0 4.0
147.0 1.5
159.0 1.0
179.0 22.2
180.0 2.7
181.0 21.2
182.0 2.4
183.0 7.0
207.0 100.0
208.0 7.9
209.0 96.7
210.0 7.7
211.0 31.5
212.0 2.6
213.0 3.6
222.0 27.1
223.0 2.6
224.0 26.0
225.0 2.5
226.0 8.5
228.0 1.0
parameter in CDCl3
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C8 H5 Cl3 O
|
0.038 g : 0.5 ml CDCl3
|
| 2',3',4'-trichloroacetophenone
|
 |
Parameter ppm Hz
D(A) 7.438
D(B) 7.338
J(A,B) 8.37
D(C) 2.627
|
Hz ppm Int.
2236.15 7.454 122
2227.84 7.426 212
2205.02 7.350 212
2196.71 7.322 122
788.09 2.627 1000
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| 1H NMR |
399.65 MHz |
| C8 H5 Cl3 O
|
0.041 g : 0.5 ml CDCl3
|
| 2',3',4'-trichloroacetophenone
|
|
Assign. Shift(ppm)
A 7.455
B 7.338
C 2.634
|
Hz ppm Int.
2984.38 7.468 164
2976.07 7.447 242
2936.28 7.348 230
2927.98 7.327 176
1055.54 2.642 42
1052.73 2.635 1000
1049.44 2.626 26