2-氨基-5-碘苯甲酸(5326-47-6)質(zhì)譜(MS)
InChI:InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: GOLGILSVWFKZRQ-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC(I)=CC=C1N
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Mass
MS-NW-0302
5-iodoanthranilic acid
C7H6INO2 (Mass of molecular ion: 263)
Source Temperature: 150 °C
Sample Temperature: 0 °C
Direct, 75 eV
28.0 1.0
37.0 1.1
38.0 1.9
39.0 2.5
41.0 1.6
52.0 4.3
53.0 1.3
61.0 1.7
62.0 3.6
63.0 10.7
64.0 3.7
65.0 2.8
75.0 1.3
80.0 2.6
89.0 1.8
90.0 11.3
91.0 7.3
92.0 1.2
108.0 1.7
108.5 5.0
109.0 1.5
122.5 5.5
127.0 2.0
131.5 2.4
136.0 2.1
217.0 14.1
218.0 9.4
245.0 56.7
246.0 5.5
263.0 100.0
264.0 8.3
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C7 H6 I N O2
|
0.039 g : 0.5 ml DMSO-d6
|
| 5-iodoanthranilic acid
|
 |
Assign. Shift(ppm)
A 7.947
B 7.470
C 6.631
|
Hz ppm Int.
3177.49 7.951 1000
3175.20 7.945 977
2991.18 7.485 498
2988.89 7.479 480
2982.33 7.463 524
2980.19 7.458 504
2654.57 6.643 867
2645.72 6.621 827
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| 1H NMR |
89.56 MHz |
| C7 H6 I N O2
|
0.037 g : 0.5 ml DMSO-d6
|
| 5-iodoanthranilic acid
|
|
Assign. Shift(ppm)
A 7.940
B 7.460
C 7.4
D 6.628
|
Hz ppm Int.
712.22 7.953 892
710.08 7.929 1000
674.02 7.526 551
671.80 7.502 497
665.31 7.429 647
663.00 7.403 620
654.20 7.305 89
618.31 6.904 41
617.80 6.899 39
617.46 6.895 42
597.46 6.672 875
588.75 6.574 703