4-氟苯甲酰氯(403-43-0)核磁圖(13CNMR)
InChI:InChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey: CZKLEJHVLCMVQR-UHFFFAOYSA-N
Smiles:C(Cl)(=O)C1=CC=C(F)C=C1
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Mass
MS-NW-7787
p-fluorobenzoyl chloride
C7H4ClFO (Mass of molecular ion: 158)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
28.0 1.0
31.0 1.7
37.0 2.6
38.0 1.9
39.0 1.0
47.5 3.1
49.0 1.4
50.0 8.0
51.0 3.5
57.0 1.4
61.0 1.5
61.5 5.5
62.0 1.9
63.0 1.5
65.0 1.0
68.0 3.7
69.0 5.5
73.0 1.2
74.0 5.1
75.0 18.8
76.0 1.7
93.0 1.3
94.0 4.0
95.0 54.6
96.0 3.8
123.0 100.0
124.0 7.8
158.0 3.7
160.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H4 Cl F O
|
0.05 ml : 0.5 ml CDCl3
|
| p-fluorobenzoyl chloride
|
 |
Assign. Shift(ppm)
A 8.130
B 7.171
J(F-19,A)=5.2HZ
J(F-19,B)=8.1HZ
|
Hz ppm Int.
743.00 8.297 33
738.56 8.247 121
737.75 8.238 96
735.63 8.214 727
733.44 8.190 353
730.44 8.156 778
728.63 8.136 456
726.50 8.112 896
723.50 8.079 420
721.25 8.054 861
718.38 8.022 154
715.94 7.994 46
653.38 7.296 132
650.50 7.264 957
648.25 7.239 310
645.25 7.205 201
643.50 7.186 366
642.31 7.172 1000
641.31 7.161 858
640.13 7.148 391
638.44 7.129 183
635.38 7.095 285
633.19 7.071 697
630.31 7.038 115
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| 1H NMR |
399.65 MHz |
| C7 H4 Cl F O
|
0.05 ml : 0.5 ml CDCl3
|
| p-fluorobenzoyl chloride
|
|
Assign. Shift(ppm)
A 8.150
B 7.194
|
Hz ppm Int.
3267.94 8.178 113
3265.01 8.170 840
3262.82 8.165 350
3259.77 8.157 877
3257.93 8.152 433
3255.98 8.148 794
3252.81 8.140 375
3250.85 8.135 789
3247.68 8.127 126
2886.35 7.223 113
2883.42 7.215 880
2881.23 7.210 270
2878.30 7.203 150
2876.46 7.198 378
2875.37 7.195 1000
2874.51 7.193 881
2873.17 7.190 347
2871.34 7.185 137
2868.41 7.178 282
2866.46 7.173 739
2863.28 7.165 114