2-溴苯乙酮(2142-69-0)質譜(MS)
InChI:InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChIKey: PIMNFNXBTGPCIL-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=CC=C1Br)C
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Mass
MS-NW-5844
2'-bromoacetophenone
C8H7BrO (Mass of molecular ion: 198)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 4.5
27.0 1.0
28.0 1.0
37.0 1.8
38.0 5.2
39.0 3.0
42.0 1.8
43.0 36.7
44.0 1.1
49.0 1.7
50.0 19.6
51.0 8.0
52.0 1.0
61.0 1.2
62.0 1.9
63.0 3.0
65.0 1.1
73.0 1.6
74.0 7.6
75.0 17.8
76.0 19.2
77.0 9.0
77.5 1.1
78.5 1.0
89.0 2.3
90.0 1.8
91.0 1.7
91.5 1.7
92.5 1.7
104.0 2.6
105.0 1.7
139.0 1.0
155.0 30.4
156.0 3.5
157.0 30.0
158.0 3.2
183.0 100.0
184.0 8.1
185.0 97.6
186.0 7.8
198.0 22.3
199.0 2.3
200.0 22.0
201.0 2.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR |
89.56 MHz |
C8 H7 Br O
|
0.04 ml : 0.5 ml CDCl3
|
2'-bromoacetophenone
|
 |
Assign. Shift(ppm)
A 7.60
B 7.46
C 7.36
D 7.28
E 2.623
|
Hz ppm Int.
686.25 7.663 29
685.69 7.657 29
684.19 7.640 26
682.44 7.620 27
679.75 7.590 41
679.31 7.585 36
677.25 7.562 52
676.63 7.556 53
668.63 7.466 30
666.88 7.447 55
664.81 7.424 87
664.19 7.417 61
662.06 7.393 27
660.50 7.375 100
658.44 7.352 141
654.56 7.309 68
651.44 7.274 66
648.69 7.244 35
234.88 2.623 1000
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1H NMR |
399.65 MHz |
C8 H7 Br O
|
0.05 ml : 0.5 ml CDCl3
|
2'-bromoacetophenone
|
 |
Assign. Shift(ppm)
A 7.590
B 7.455
C 7.356
D 7.282
E 2.613
|
Hz ppm Int.
3038.21 7.603 85
3037.35 7.601 81
3036.99 7.600 80
3030.27 7.583 94
3029.42 7.581 92
3029.05 7.580 89
2985.84 7.472 66
2984.01 7.467 70
2978.15 7.452 94
2976.68 7.449 93
2948.12 7.377 55
2946.90 7.374 57
2940.67 7.359 104
2939.45 7.356 97
2933.11 7.340 62
2931.88 7.337 59
2918.09 7.302 74
2916.26 7.298 73
2910.16 7.282 79
2908.33 7.278 73
2902.71 7.264 42
2901.00 7.259 38
1044.56 2.614 1000