1,1,1-三氯丙酮(918-00-3)紅外圖譜(IR1)
InChI:InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
InChIKey: SMZHKGXSEAGRTI-UHFFFAOYSA-N
Smiles:C(Cl)(Cl)(Cl)C(=O)C
-
Mass
MS-IW-4066
1,1,1-trichloro-2-propanone
C3H3Cl3O (Mass of molecular ion: 160)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
14.0 1.2
15.0 11.2
26.0 1.7
27.0 1.5
36.0 1.5
42.0 3.5
43.0 100.0
44.0 3.8
47.0 3.5
49.0 1.3
61.0 3.0
63.0 3.6
82.0 3.7
83.0 8.2
84.0 2.5
85.0 5.3
97.0 7.8
99.0 5.1
117.0 3.3
119.0 3.1
121.0 1.0
125.0 11.5
127.0 7.4
129.0 1.2
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| 1H NMR |
300 MHz |
| C3 H3 Cl3 O
|
0.05 ml : 0.5 ml CDCl3
|
| 1,1,1-trichloro-2-propanone
|
 |
Parameter ppm Hz
D(A) 2.638
|
Hz ppm Int.
791.40 2.638 1000