3-氯-4羥基苯乙酸(33697-81-3)核磁圖(1HNMR)
InChI:InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-N
Smiles:C1(CC(O)=O)=CC=C(O)C(Cl)=C1
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Mass
MS-IW-0850
3-chloro-4-hydroxyphenylacetic acid
C8H7ClO3 (Mass of molecular ion: 186)
Source Temperature: 170 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 2.2
50.0 1.1
51.0 8.1
52.0 1.1
53.0 1.2
77.0 18.1
78.0 2.1
105.0 5.7
107.0 2.5
141.0 100.0
142.0 8.1
143.0 33.3
144.0 2.6
186.0 34.6
187.0 3.2
188.0 11.4
189.0 1.0
400 MHz in CDCl3
400 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C8 H7 Cl O3
|
saturated in CDCl3
|
| 3-chloro-4-hydroxyphenylacetic acid
|
 |
Assign. Shift(ppm)
A 7.26
B 7.088
C 6.976
D 7.0
E 3.563
|
Hz ppm Int.
2902.71 7.264 329
2900.63 7.258 312
2838.87 7.104 134
2836.67 7.098 124
2830.44 7.083 188
2828.37 7.078 178
2791.50 6.985 432
2783.08 6.964 307
1424.19 3.564 1000
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| 1H NMR |
399.65 MHz |
| C8 H7 Cl O3
|
0.040 g : 0.5 ml DMSO-d6
|
| 3-chloro-4-hydroxyphenylacetic acid
|
|
Assign. Shift(ppm)
A 11.
B 10.
C 7.228
D 7.017
E 6.917
F 3.469
|
Hz ppm Int.
2890.00 7.232 385
2887.99 7.227 386
2810.51 7.033 170
2808.31 7.027 158
2802.26 7.012 238
2800.07 7.007 228
2772.04 6.937 22
2768.01 6.927 475
2763.80 6.916 29
2759.59 6.906 336
1386.57 3.470 1000
1374.48 3.440 21