2-溴芐醇(18982-54-2)Raman光譜
InChI:InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey: IOWGHQGLUMEZKG-UHFFFAOYSA-N
Smiles:C1(CO)=CC=CC=C1Br
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Mass
MS-NW-6229
o-bromobenzyl alcohol
C7H7BrO (Mass of molecular ion: 186)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 3.5
26.0 1.3
27.0 4.7
28.0 3.1
29.0 5.6
31.0 4.5
37.0 2.6
38.0 4.8
39.0 10.0
40.0 1.0
43.0 1.3
44.0 1.0
49.0 1.8
50.0 16.3
51.0 24.4
52.0 6.3
53.0 9.7
53.5 2.7
61.0 2.2
62.0 3.9
63.0 7.2
64.0 1.7
73.0 1.5
74.0 5.5
75.0 8.5
76.0 8.9
77.0 88.2
78.0 27.3
79.0 100.0
80.0 6.9
82.0 1.0
86.0 1.0
89.0 10.5
90.0 8.2
91.0 1.4
92.5 1.0
93.5 1.0
105.0 12.8
106.0 2.1
107.0 91.1
108.0 7.6
155.0 3.0
157.0 9.9
158.0 1.2
159.0 6.9
169.0 5.3
170.0 1.1
171.0 5.1
183.0 2.0
185.0 8.6
186.0 51.0
187.0 10.8
188.0 49.4
189.0 4.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H7 Br O
|
0.040 g : 0.5 ml CDCl3
|
| o-bromobenzyl alcohol
|
 |
Assign. Shift(ppm)
A 7.527
B 7.453
C 7.310
D 7.146
E 4.713
F 2.41
|
Hz ppm Int.
3012.94 7.539 541
3011.72 7.536 560
3009.16 7.530 42
3008.54 7.528 41
3005.00 7.520 596
3003.78 7.517 617
2983.89 7.467 355
2983.52 7.466 343
2982.79 7.464 332
2982.06 7.462 370
2976.20 7.448 454
2975.83 7.447 425
2975.22 7.445 411
2974.49 7.443 466
2929.57 7.331 315
2928.34 7.328 312
2925.90 7.322 41
2922.24 7.312 560
2921.02 7.309 554
2917.97 7.302 33
2916.99 7.299 33
2914.55 7.293 302
2913.33 7.290 280
2864.26 7.167 305
2862.55 7.163 292
2856.81 7.149 430
2856.32 7.148 416
2855.10 7.145 426
2848.88 7.129 220
2847.17 7.125 212
1886.60 4.721 1000
1880.49 4.706 993
969.97 2.428 278
963.87 2.412 634
957.52 2.396 259
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| 1H NMR |
89.56 MHz |
| C7 H7 Br O
|
saturated in CDCl3
|
| o-bromobenzyl alcohol
|
|
Assign. Shift(ppm)
A 7.52
B 7.43
C 7.28
D 7.15
E 4.742
F 2.06
|
Hz ppm Int.
680.25 7.596 123
679.00 7.582 113
678.25 7.574 110
675.44 7.542 66
674.88 7.536 73
672.81 7.513 315
671.25 7.495 214
668.63 7.466 92
668.00 7.459 166
667.44 7.453 171
666.75 7.445 107
665.69 7.433 201
665.19 7.428 179
663.75 7.412 126
662.19 7.394 135
656.63 7.332 238
655.06 7.315 171
649.50 7.253 224
648.00 7.236 210
645.69 7.210 140
640.88 7.156 122
640.50 7.152 118
638.38 7.128 111
633.31 7.072 45
631.19 7.048 38
424.75 4.743 1000
184.25 2.058 451