3-甲氧基-2-硝基苯甲酸(4920-80-3)核磁圖(1HNMR)
InChI:InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey: YMOMYSDAOXOCID-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=CC(OC)=C1[N+]([O-])=O
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Mass
MS-NW-6718
3-methoxy-2-nitrobenzoic acid
C8H7NO5 (Mass of molecular ion: 197)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Direct, 75 eV
14.0 1.4
15.0 12.9
17.0 1.8
18.0 6.0
26.0 5.2
27.0 5.5
28.0 4.8
29.0 8.0
30.0 28.0
31.0 3.6
37.0 14.5
38.0 16.5
39.0 33.0
40.0 3.6
41.0 8.4
42.0 1.1
43.0 2.4
44.0 4.1
45.0 12.8
46.0 4.4
49.0 3.9
50.0 37.0
51.0 37.8
52.0 28.6
53.0 17.6
54.0 4.2
55.0 6.6
59.0 6.0
60.0 1.3
61.0 11.0
62.0 25.5
63.0 49.3
64.0 16.4
65.0 100.0
66.0 10.3
67.0 8.9
68.0 9.0
69.0 1.7
70.0 1.2
73.0 3.7
74.0 18.6
75.0 22.1
76.0 54.6
77.0 42.5
78.0 14.0
79.0 24.8
80.0 10.1
81.0 10.9
82.0 1.1
83.0 2.0
90.0 1.8
91.0 17.2
92.0 17.4
93.0 19.3
94.0 4.9
95.0 18.2
96.0 6.4
103.0 2.9
104.0 7.3
105.0 9.8
106.0 29.6
107.0 59.5
108.0 17.9
109.0 5.6
111.0 2.4
119.0 66.1
120.0 9.2
121.0 24.5
122.0 9.6
123.0 6.2
124.0 1.7
133.0 1.0
134.0 2.9
135.0 2.1
136.0 22.9
137.0 25.6
138.0 2.7
139.0 6.0
149.0 56.7
150.0 43.8
151.0 4.5
152.0 1.3
153.0 2.2
167.0 17.9
168.0 1.8
180.0 1.0
197.0 58.5
198.0 5.4
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C8 H7 N O5
|
0.041 g : 0.5 ml DMSO-d6
|
| 3-methoxy-2-nitrobenzoic acid
|
 |
Assign. Shift(ppm)
A 14.
B 7.64
C 7.60
D 7.59
E 3.930
|
Hz ppm Int.
685.82 7.658 105
684.17 7.640 26
682.52 7.621 311
681.53 7.610 404
680.87 7.603 368
677.57 7.566 140
670.65 7.489 30
351.98 3.931 1000
346.81 3.873 23
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| 1H NMR |
399.65 MHz |
| C8 H7 N O5
|
0.038 g : 0.5 ml DMSO-d6
|
| 3-methoxy-2-nitrobenzoic acid
|
|
Assign. Shift(ppm)
A 14.
B 7.666
C *1 7.61
D *1 7.59
E 3.938
|
Hz ppm Int.
3073.97 7.692 68
3066.41 7.673 105
3065.43 7.671 132
3058.11 7.652 189
3044.68 7.619 118
3043.21 7.615 189
3037.35 7.601 203
3035.89 7.597 206
3031.74 7.586 24
3029.79 7.582 116
3028.32 7.578 102
1573.97 3.939 1000