對甲氧基苯甲酸(100-09-4)核磁圖(1HNMR)
InChI:InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=C(OC)C=C1
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Mass
MS-IW-8017
anisic acid
C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 1.0
27.0 1.5
28.0 1.4
31.0 1.0
38.0 2.4
39.0 3.4
45.0 1.0
50.0 3.8
51.0 2.8
53.0 3.3
62.0 2.2
63.0 6.5
64.0 6.3
65.0 4.3
74.0 2.1
75.0 1.7
76.0 2.0
77.0 18.3
78.0 2.4
79.0 2.1
81.0 5.1
92.0 9.4
93.0 1.1
105.0 2.2
107.0 15.7
108.0 1.5
109.0 3.3
135.0 100.0
136.0 9.0
137.0 1.1
152.0 94.9
153.0 8.6
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C8 H8 O3
|
0.038 g : 0.5 ml DMSO-d6
|
| anisic acid
|
![ChemicalStructure]() |
Assign. Shift(ppm)
A 12.7
B 7.932
C 7.035
D 3.841
|
Hz ppm Int.
5065.47 12.675 37
3177.57 7.951 38
3174.82 7.945 256
3172.81 7.939 87
3170.43 7.934 22
3168.05 7.928 90
3166.03 7.923 262
3163.29 7.916 32
2818.93 7.054 40
2816.18 7.047 265
2814.17 7.042 89
2809.22 7.030 85
2807.21 7.025 245
2804.46 7.018 30
1535.30 3.842 1000
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| 1H NMR |
89.56 MHz |
| C8 H8 O3
|
0.041 g : 0.5 ml DMSO-d6
|
| anisic acid
|
 |
Assign. Shift(ppm)
A 13.
B 7.914
C 7.027
D 3.836
|
Hz ppm Int.
714.01 7.973 241
711.88 7.949 74
707.09 7.896 72
704.96 7.872 304
702.22 7.841 37
636.34 7.106 23
633.52 7.074 238
631.38 7.050 67
626.60 6.997 54
624.55 6.974 189
343.59 3.837 1000