水合氯醛(302-17-0)紅外圖譜(IR1)
InChI:InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
InChIKey: RNFNDJAIBTYOQL-UHFFFAOYSA-N
Smiles:C(O)(O)C(Cl)(Cl)Cl
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Mass
MS-NW-1835
2,2,2-trichloro-1,1-ethanediol
C2H3Cl3O2 (Mass of molecular ion: 164)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
12.0 3.5
13.0 4.7
16.0 1.0
17.0 8.5
18.0 35.5
24.0 1.4
25.0 4.1
28.0 5.3
29.0 73.1
35.0 17.9
36.0 4.0
37.0 5.9
38.0 1.3
40.0 2.2
47.0 67.2
48.0 22.3
49.0 22.3
50.0 7.0
59.0 1.4
60.0 4.5
62.0 1.4
82.0 100.0
83.0 51.7
84.0 63.4
85.0 32.7
86.0 10.7
87.0 5.1
110.0 7.8
111.0 53.7
112.0 6.2
113.0 34.0
114.0 1.6
115.0 5.4
117.0 9.0
118.0 7.4
119.0 8.6
120.0 7.2
121.0 2.8
122.0 2.3
146.0 3.1
148.0 3.0
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| 1H NMR |
300 MHz |
| C2 H3 Cl3 O2
|
0.040 g : 0.5 ml CDCl3
|
| 2,2,2-trichloro-1,1-ethanediol
|
 |
Parameter ppm Hz
D(A) 9.051
|
Hz ppm Int.
2715.30 9.051 1000