2-溴丙酸甲酯(5445-17-0)核磁圖(13CNMR)
InChI:InChI=1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChIKey: ACEONLNNWKIPTM-UHFFFAOYSA-N
Smiles:C(OC)(=O)C(Br)C
-
Mass
MS-NW-5862
methyl 2-bromopropionate
C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
14.0 1.7
15.0 52.8
18.0 1.5
25.0 1.9
26.0 16.5
27.0 100.0
28.0 23.9
29.0 8.8
30.0 2.3
31.0 7.8
32.0 1.4
39.0 1.0
41.0 4.6
43.0 27.5
44.0 1.0
45.0 1.6
53.0 1.4
55.0 17.9
56.0 7.2
57.0 1.0
59.0 84.8
60.0 2.2
79.0 1.8
80.0 1.4
81.0 1.8
82.0 1.3
87.0 97.5
88.0 4.6
106.0 5.0
107.0 67.3
108.0 6.5
109.0 65.7
110.0 1.9
135.0 6.5
137.0 5.9
166.0 6.0
168.0 5.5
400 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
399.65 MHz |
| C4 H7 Br O2
|
0.05 ml : 0.5 ml CDCl3
|
| methyl 2-bromopropionate
|
 |
Assign. Shift(ppm)
A 4.401
B 3.788
C 1.831
|
Hz ppm Int.
1769.29 4.428 96
1762.33 4.410 266
1755.37 4.393 266
1748.41 4.375 98
1514.16 3.789 1000
735.47 1.841 778
728.52 1.823 751
-
| 1H NMR |
300 MHz |
| C4 H7 Br O2
|
0.04 ml : 0.5 ml CDCl3
|
| methyl 2-bromopropionate
|
|
Parameter ppm Hz
D(A) 4.381
D(B) 1.831
J(A,B) 6.95
D(C) 3.784
|
Hz ppm Int.
1324.78 4.416 41
1317.83 4.393 123
1310.88 4.370 125
1303.95 4.346 43
1135.20 3.784 1000
552.77 1.843 504
545.81 1.819 495