2,3-二溴丙酸甲酯(1729-67-5)核磁圖(13CNMR)
InChI:InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChIKey: ROXQOUUAPQUMLN-UHFFFAOYSA-N
Smiles:C(OC)(=O)C(Br)CBr
-
Mass
MS-NW-5856
methyl 2,3-dibromopropionate
C4H6Br2O2 (Mass of molecular ion: 244)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
14.0 1.4
15.0 51.6
25.0 2.7
26.0 17.1
27.0 59.8
28.0 4.1
29.0 6.2
30.0 2.0
31.0 4.2
39.0 2.5
41.0 6.0
42.0 1.1
43.0 4.8
45.0 2.5
53.0 2.7
54.0 1.5
55.0 37.7
56.0 1.8
58.0 2.2
59.0 82.5
60.0 1.8
79.0 2.3
80.0 3.0
81.0 2.4
82.0 2.9
85.0 2.3
93.0 2.0
94.0 1.8
95.0 9.5
96.0 1.6
97.0 8.4
105.0 15.0
106.0 21.3
107.0 15.4
108.0 21.0
121.0 12.6
123.0 18.0
125.0 6.8
133.0 6.2
135.0 6.3
137.0 3.0
139.0 3.0
164.0 1.1
165.0 100.0
166.0 5.6
167.0 95.3
168.0 5.0
185.0 11.6
186.0 1.0
187.0 23.1
189.0 10.8
213.0 2.7
215.0 4.7
217.0 2.4
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C4 H6 Br2 O2
|
0.04 ml : 0.5 ml CDCl3
|
| methyl 2,3-dibromopropionate
|
 |
Assign. Shift(ppm)
A *1 4.452
B *1 3.919
C 3.844
D 3.697
J(A,B)=10.8HZ. J(A,D)=4.8HZ. J(B,D)=9.8HZ.
|
Hz ppm Int.
407.69 4.553 62
402.94 4.500 76
396.94 4.433 93
392.19 4.380 109
362.56 4.049 74
352.75 3.939 135
351.81 3.929 41
344.38 3.846 1000
342.00 3.819 124
336.25 3.755 123
331.50 3.702 118
326.50 3.646 60
321.69 3.592 44
-
| 1H NMR |
300 MHz |
| C4 H6 Br2 O2
|
0.04 ml : 0.5 ml CDCl3
|
| methyl 2,3-dibromopropionate
|
|
Parameter ppm Hz
D(A) 4.452
D(B) 3.919
D(C) 3.697
J(A,B) -10.75
J(A,C) 4.75
J(B,C) 9.81
D(D) 3.844
|
Hz ppm Int.
1343.56 4.479 77
1338.80 4.463 80
1332.82 4.443 88
1328.06 4.427 91
1186.15 3.954 77
1176.34 3.921 111
1175.45 3.918 81
1165.61 3.885 91
1153.20 3.844 1000
1116.00 3.720 98
1111.24 3.704 95
1106.20 3.687 74
1101.43 3.671 70