3-氟芐醇(456-47-3)質(zhì)譜(MS)
InChI:InChI=1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey: QDHRSLFSDGCJFX-UHFFFAOYSA-N
Smiles:C1(CO)=CC=CC(F)=C1
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Mass
MS-NW-5487
m-fluorobenzyl alcohol
C7H7FO (Mass of molecular ion: 126)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.0
27.0 2.5
28.0 2.1
29.0 6.9
31.0 7.1
37.0 2.0
38.0 3.0
39.0 6.5
49.0 1.4
50.0 9.3
51.0 12.9
52.0 2.5
53.0 2.4
57.0 6.6
59.0 1.1
61.0 2.0
62.0 3.5
62.5 2.3
63.0 5.5
68.0 2.7
69.0 4.4
70.0 6.0
71.0 1.5
73.0 1.0
74.0 4.3
75.0 12.9
76.0 2.2
77.0 32.7
78.0 6.3
79.0 4.5
81.0 3.0
83.0 8.7
89.0 1.7
94.0 1.8
95.0 25.7
96.0 13.9
97.0 97.2
98.0 7.6
105.0 34.6
106.0 6.1
107.0 10.1
108.0 8.7
109.0 21.4
110.0 2.9
123.0 5.1
124.0 1.4
125.0 50.8
126.0 100.0
127.0 8.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H7 F O
|
0.05 ml : 0.5 ml CDCl3
|
| m-fluorobenzyl alcohol
|
 |
Assign. Shift(ppm)
A 7.239
B 7.013
C 6.974
D 6.921
E 4.522
G 3.52
J(A,F-19)=5.6HZ. J(C,F-19)=9.6HZ.
|
Hz ppm Int.
2904.91 7.269 117
2899.05 7.254 134
2897.09 7.250 207
2891.24 7.235 213
2883.18 7.215 144
2807.25 7.025 181
2806.40 7.023 242
2805.79 7.021 249
2804.93 7.019 201
2798.83 7.004 200
2798.22 7.002 216
2797.36 7.000 180
2794.19 6.992 119
2793.70 6.991 133
2791.50 6.985 163
2791.14 6.984 154
2790.04 6.982 125
2783.94 6.966 121
2781.86 6.961 162
2781.37 6.960 148
2780.27 6.957 126
2775.27 6.945 101
2774.78 6.944 103
2774.41 6.943 104
2772.71 6.938 85
2772.22 6.937 84
2771.73 6.936 82
2766.60 6.923 175
2766.11 6.922 178
2765.63 6.921 154
2764.04 6.917 137
2763.55 6.915 135
2758.42 6.903 80
2757.93 6.901 82
2757.45 6.900 83
2755.74 6.896 67
2755.25 6.895 66
2754.76 6.893 65
1807.86 4.524 1000
1406.37 3.520 76
-
| 1H NMR |
89.56 MHz |
| C7 H7 F O
|
0.04 ml : 0.5 ml CDCl3
|
| m-fluorobenzyl alcohol
|
|
Assign. Shift(ppm)
A 7.26
B 7.07 to 6.92
C 4.602
D 2.63
|
Hz ppm Int.
663.56 7.410 49
657.81 7.345 37
656.88 7.335 55
655.63 7.321 146
650.44 7.263 134
649.63 7.254 140
647.69 7.232 214
642.69 7.177 136
642.06 7.170 154
635.31 7.094 310
634.56 7.086 329
634.00 7.080 328
631.88 7.056 147
631.06 7.047 182
629.94 7.034 146
629.50 7.029 154
627.94 7.012 182
627.25 7.004 154
626.06 6.991 129
624.25 6.971 166
623.44 6.962 220
622.75 6.954 247
622.44 6.950 249
621.00 6.934 164
614.94 6.867 58
613.25 6.848 60
612.88 6.844 56
612.38 6.838 47
610.75 6.820 40
412.25 4.604 1000
235.13 2.626 884