邻溴苯甲酸甲酯(610-94-6)红外图谱(IR1)
InChI:InChI=1S/C8H7BrO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey: SWGQITQOBPXVRC-UHFFFAOYSA-N
Smiles:C(OC)(=O)C1=CC=CC=C1Br
-
Mass
MS-KW-0250
methyl o-bromobenzoate
C8H7BrO2 (Mass of molecular ion: 214)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 3.5
28.0 1.7
29.0 1.4
37.0 1.7
38.0 3.6
39.0 1.4
49.0 1.5
50.0 18.9
51.0 3.9
59.0 1.3
63.0 1.4
64.0 1.1
73.0 1.3
74.0 7.2
75.0 22.3
76.0 23.6
77.0 6.0
92.0 1.9
104.0 2.4
135.0 1.3
155.0 28.9
156.0 2.4
157.0 28.3
158.0 2.0
183.0 100.0
184.0 7.9
185.0 97.8
186.0 7.6
213.0 2.0
214.0 34.9
215.0 5.5
216.0 34.4
217.0 3.2
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8H7BrO2
|
0.05 ml : 0.5 ml CDCl3
|
| methyl 2-bromobenzoate
|
 |
Assign. Shift(ppm)
A 7.769
B 7.635
C *1 7.333
D *1 7.301
E 3.914
|
Hz ppm Int.
3110.72 7.782 122
3108.53 7.776 160
3103.52 7.764 107
3102.91 7.762 107
3101.20 7.758 130
3056.77 7.647 122
3055.42 7.643 104
3054.69 7.641 96
3049.08 7.627 174
3047.61 7.624 132
2941.29 7.358 54
2939.82 7.354 67
2933.96 7.339 156
2932.38 7.335 157
2926.64 7.321 149
2925.30 7.318 165
2924.93 7.317 149
2922.98 7.312 147
2917.61 7.298 124
2916.51 7.296 37
2915.53 7.293 143
2910.04 7.280 57
2908.09 7.275 47
1564.58 3.914 1000
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| 1H NMR |
89.56 MHz |
| C8 H7 Br O2
|
0.04 ml : 0.5 ml CDCl3
|
| methyl o-bromobenzoate
|
|
Assign. Shift(ppm)
A 7.77
B 7.64
C 7.34
D 7.30
E 3.921
A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
701.44 7.833 36
701.00 7.828 35
698.38 7.798 30
696.56 7.778 40
694.13 7.751 47
691.94 7.726 56
691.50 7.722 56
690.00 7.705 36
689.63 7.701 34
687.38 7.676 36
684.94 7.648 53
683.38 7.631 35
680.69 7.601 65
680.31 7.597 52
660.63 7.377 93
659.75 7.367 90
658.00 7.348 60
655.69 7.322 83
655.19 7.316 74
653.13 7.293 52
651.13 7.271 59
650.44 7.263 57
351.19 3.922 1000