间溴苯酚(591-20-8)核磁图(1HNMR)
InChI:InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey: MNOJRWOWILAHAV-UHFFFAOYSA-N
Smiles:C1(O)=CC=CC(Br)=C1
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Mass
MS-NW-0856
m-bromophenol
C6H5BrO (Mass of molecular ion: 172)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 1.9
26.0 1.0
28.0 3.0
31.0 1.1
32.0 2.7
37.0 4.4
38.0 8.7
39.0 20.9
46.0 5.4
49.0 1.4
50.0 4.6
51.0 1.6
53.0 5.5
61.0 3.9
62.0 6.4
63.0 14.6
64.0 8.6
65.0 56.3
66.0 3.7
74.0 2.9
75.0 2.1
86.0 5.2
87.0 4.9
92.0 2.2
93.0 41.3
94.0 3.4
117.0 2.0
119.0 1.9
143.0 3.1
145.0 2.7
172.0 100.0
173.0 6.9
174.0 97.5
175.0 6.5
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR |
89.56 MHz |
C6 H5 Br O
|
0.04 ml : 0.5 ml CDCl3
|
m-bromophenol
|
|
Assign. Shift(ppm)
A 7.12 to 7.02
B 7.00
C 6.760
D 5.45
400MHZ : HSP-42-379
|
Hz ppm Int.
638.75 7.133 65
636.56 7.108 570
635.88 7.101 341
634.38 7.084 432
632.00 7.057 698
631.00 7.046 1000
629.69 7.031 405
628.06 7.013 488
627.19 7.004 489
626.19 6.992 542
625.13 6.981 184
622.75 6.954 39
614.19 6.858 87
612.25 6.837 57
610.06 6.812 337
607.56 6.784 255
606.00 6.767 200
605.00 6.756 230
604.00 6.745 175
601.63 6.718 225
598.50 6.683 158
596.81 6.664 32
488.13 5.451 934
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1H NMR |
399.65 MHz |
C6 H5 Br O
|
0.05 ml : 0.5 ml CDCl3
|
m-bromophenol
|
|
Assign. Shift(ppm)
A 7.06
B 7.05
C 6.999
D 6.749
E 6.42
|
Hz ppm Int.
2829.96 7.082 67
2829.47 7.080 70
2825.07 7.069 44
2822.02 7.062 619
2821.41 7.060 633
2819.34 7.055 519
2817.02 7.049 757
2815.80 7.046 1000
2812.87 7.039 101
2811.40 7.035 123
2808.72 7.028 45
2799.19 7.005 383
2798.58 7.003 383
2797.73 7.001 380
2797.00 6.999 505
2795.78 6.996 509
2794.68 6.993 341
2707.15 6.774 61
2704.96 6.769 60
2702.88 6.764 294
2700.44 6.758 291
2698.73 6.753 275
2698.00 6.751 296
2696.90 6.749 244
2694.95 6.744 262
2693.73 6.741 277
2691.28 6.735 261
2689.58 6.730 66
2686.77 6.723 45
2564.45 6.417 405