二氯乙酸酐(4124-30-5)質(zhì)譜(MS)
分子式:C4H2Cl4O3
分子量: 239.87
InChI:InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey: RQHMQURGSQBBJY-UHFFFAOYSA-N
Smiles:C(=O)(OC(=O)C(Cl)Cl)C(Cl)Cl
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Mass
MS-NW-6388
dichloroacetic anhydride
C4H2Cl4O3 (Mass of molecular ion: 238)
Source Temperature: 280 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
13.0 2.0
18.0 1.8
28.0 8.9
29.0 3.5
35.0 3.8
36.0 15.1
37.0 1.2
38.0 5.2
41.0 2.9
44.0 10.2
45.0 3.9
47.0 8.5
48.0 24.4
49.0 7.9
50.0 8.2
51.0 2.1
63.0 3.0
65.0 1.2
76.0 8.5
78.0 3.0
82.0 3.4
83.0 100.0
84.0 8.1
85.0 61.5
86.0 4.9
87.0 9.9
110.0 1.9
111.0 39.2
112.0 2.1
113.0 24.8
115.0 4.2
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| 1H NMR |
300 MHz |
| C4 H2 Cl4 O3
|
0.05 ml : 0.5 ml CDCl3
|
| dichloroacetic anhydride
|
 |
Parameter ppm Hz
D(A) 6.117
|
Hz ppm Int.
1835.10 6.117 1000