2-溴丙酸(598-72-1)质谱(MS)
InChI:InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey: MONMFXREYOKQTI-UHFFFAOYSA-N
Smiles:C(O)(=O)C(Br)C
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Mass
MS-NW-8494
2-bromopropionic acid
C3H5BrO2 (Mass of molecular ion: 152)
Source Temperature: 260 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
14.0 1.1
15.0 2.0
18.0 1.3
25.0 2.8
26.0 24.7
27.0 90.4
28.0 64.5
29.0 100.0
30.0 2.9
31.0 2.0
41.0 1.0
42.0 1.3
43.0 8.4
44.0 4.2
45.0 45.7
46.0 1.3
53.0 1.8
55.0 14.5
56.0 6.3
57.0 1.1
64.0 1.0
72.0 1.2
73.0 38.5
74.0 3.0
79.0 4.0
80.0 4.9
81.0 4.1
82.0 4.7
106.0 1.6
107.0 16.3
108.0 30.2
109.0 16.1
110.0 27.8
111.0 1.1
152.0 5.5
154.0 5.3
parameter in CDCl3
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C3 H5 Br O2
|
0.04 ml : 0.5 ml CDCl3
|
| 2-bromopropionic acid
|
 |
Parameter ppm Hz
D(A) 11.50
D(B) 4.407
D(C) 1.855
J(B,C) 6.9
|
Hz ppm Int.
3450.03 11.500 192
1332.46 4.442 81
1325.68 4.419 246
1318.72 4.396 250
1311.86 4.373 86
559.96 1.867 1000
553.09 1.844 982
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| 1H NMR |
89.56 MHz |
| C3 H5 Br O2
|
0.04 ml : 0.5 ml CDCl3
|
| 2-bromopropionic acid
|
|
Assign. Shift(ppm)
A 11.50
B 4.407
C 1.855
J(B,C)=6.9HZ.
|
Hz ppm Int.
1030.00 11.501 146
405.54 4.529 80
398.54 4.450 241
391.61 4.373 246
384.69 4.296 93
169.53 1.893 1000
167.14 1.867 24
162.61 1.816 936