3-氯苯乙酸(1878-65-5)核磁圖(13CNMR)
InChI:InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: WFPMUFXQDKMVCO-UHFFFAOYSA-N
Smiles:C1(CC(O)=O)=CC=CC(Cl)=C1
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Mass
MS-NW-7166
m-chlorophenylacetic acid
C8H7ClO2 (Mass of molecular ion: 170)
Source Temperature: 210 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
28.0 1.4
37.0 1.1
38.0 2.3
39.0 7.2
43.0 1.6
44.0 1.7
44.5 2.7
45.0 3.2
50.0 3.7
51.0 4.3
61.0 1.9
62.0 4.9
62.5 2.7
63.0 11.9
64.0 2.5
65.0 3.5
73.0 3.5
74.0 1.3
75.0 2.5
77.0 3.6
79.0 1.0
85.0 1.0
86.0 1.3
87.0 1.3
89.0 22.1
90.0 7.9
91.0 51.6
92.0 4.3
99.0 6.3
101.0 2.2
107.0 2.6
124.0 2.2
125.0 100.0
126.0 10.2
127.0 32.7
128.0 4.0
152.0 2.7
170.0 39.3
171.0 3.9
172.0 13.7
173.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H7 Cl O2
|
0.053 g : 0.5 ml CDCl3
|
| m-chlorophenylacetic acid
|
 |
Assign. Shift(ppm)
A 11.
B 7.28
C 7.26
D 7.25
E 7.156
F 3.615
CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
2910.52 7.283 277
2909.23 7.280 314
2907.58 7.276 215
2902.64 7.263 619
2901.36 7.260 396
2899.53 7.256 320
2897.14 7.250 385
2896.23 7.247 303
2889.27 7.230 52
2888.35 7.228 46
2866.56 7.173 36
2863.81 7.166 132
2861.98 7.162 125
2861.61 7.161 114
2860.88 7.159 106
2858.31 7.153 167
2857.40 7.150 121
2855.02 7.144 85
2853.37 7.140 75
1444.63 3.615 1000
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| 1H NMR |
89.56 MHz |
| C8 H7 Cl O2
|
0.046 g : 0.5 ml CDCl3
|
| m-chlorophenylacetic acid
|
|
Assign. Shift(ppm)
A 11.55
B 7.33 to 7.05
C 3.611
|
Hz ppm Int.
1033.85 11.544 87
652.92 7.291 570
651.04 7.270 262
650.52 7.264 286
648.90 7.246 468
648.13 7.237 634
647.45 7.230 512
646.08 7.214 240
644.37 7.195 301
642.58 7.175 170
640.61 7.153 97
639.59 7.142 149
637.54 7.119 83
635.66 7.098 43
634.29 7.083 42
633.35 7.072 44
323.51 3.613 1000
317.70 3.548 30
317.27 3.543 27
316.76 3.537 28