4-溴苯甲酰苯(90-90-4)Raman光譜
InChI:InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey: KEOLYBMGRQYQTN-UHFFFAOYSA-N
Smiles:C(C1=CC=C(Br)C=C1)(C1=CC=CC=C1)=O
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Mass
MS-KW-0089
4-bromobenzophenone
C13H9BrO (Mass of molecular ion: 260)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
50.0 8.4
51.0 12.1
63.0 1.4
74.0 3.3
75.0 10.0
76.0 15.7
76.5 2.9
77.0 36.1
78.0 2.4
104.0 2.1
105.0 100.0
106.0 7.8
116.0 3.7
117.0 3.5
151.0 1.5
152.0 3.7
153.0 1.8
155.0 12.6
156.0 1.1
157.0 12.3
181.0 14.3
182.0 2.2
183.0 41.7
184.0 3.5
185.0 40.8
186.0 3.2
260.0 31.8
261.0 5.0
262.0 31.1
263.0 4.5
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C13 H9 Br O
|
0.045 g : 0.5 ml CDCl3
|
| 4-bromobenzophenone
|
 |
Assign. Shift(ppm)
A 7.772
B 7.674
C 7.63
D 7.60
E 7.488
|
Hz ppm Int.
3116.09 7.798 33
3114.50 7.794 40
3112.67 7.789 81
3110.96 7.785 352
3109.74 7.782 487
3104.74 7.769 152
3102.78 7.764 533
3101.44 7.761 520
3077.03 7.700 36
3074.71 7.694 85
3072.75 7.689 439
3070.92 7.685 248
3066.16 7.673 274
3064.09 7.667 1000
3057.74 7.652 38
3057.37 7.651 38
3052.37 7.638 206
3050.54 7.634 990
3048.46 7.628 366
3045.90 7.622 117
3043.70 7.616 244
3041.87 7.612 472
3039.31 7.605 145
3037.11 7.600 294
3035.40 7.596 151
3031.01 7.585 125
3029.66 7.581 219
3028.56 7.579 153
3001.10 7.510 94
2999.39 7.506 374
2998.17 7.502 245
2991.82 7.487 561
2985.96 7.472 102
2984.25 7.468 224
2983.76 7.466 199
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| 1H NMR |
89.56 MHz |
| C13 H9 Br O
|
0.040 g : 0.5 ml CDCl3
|
| 4-bromobenzophenone
|
|
Assign. Shift(ppm)
A 7.78
B 7.66
C 7.63
D 7.56 to 7.45
|
Hz ppm Int.
701.06 7.828 119
699.44 7.810 143
697.81 7.792 76
696.88 7.782 70
695.81 7.770 60
694.00 7.749 189
693.56 7.745 193
691.44 7.721 246
690.19 7.707 77
689.13 7.695 47
688.31 7.686 36
687.25 7.674 49
685.19 7.651 1000
684.69 7.646 905
684.25 7.641 943
682.31 7.619 111
681.31 7.608 131
678.38 7.575 83
677.63 7.567 176
675.75 7.546 377
673.38 7.519 153
671.56 7.499 79
669.75 7.479 83
668.69 7.467 113
668.06 7.460 137
666.13 7.438 33
662.44 7.397 45
659.38 7.363 30