2-氨基苯磺酸(88-21-1)紅外圖譜(IR1)
InChI:InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKey: ZMCHBSMFKQYNKA-UHFFFAOYSA-N
Smiles:C1(S(O)(=O)=O)=CC=CC=C1N
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Mass
MS-NW-7853
o-aminobenzenesulfonic acid
C6H7NO3S (Mass of molecular ion: 173)
Source Temperature: 210 °C
Sample Temperature: 340 °C
Direct, 75 eV
17.0 5.5
18.0 25.7
26.0 1.0
27.0 3.5
28.0 6.9
29.0 1.3
32.0 1.3
34.0 1.3
36.0 7.2
37.0 2.0
38.0 7.3
39.0 22.8
40.0 6.1
41.0 10.0
42.0 2.9
43.0 1.4
44.0 2.4
45.5 1.5
46.5 4.8
48.0 10.6
50.0 4.3
51.0 5.8
52.0 11.3
53.0 4.9
54.0 4.8
55.0 1.1
57.0 1.6
60.0 3.2
61.0 1.6
62.0 4.0
63.0 11.8
64.0 24.8
65.0 43.7
66.0 36.0
67.0 4.9
73.0 1.9
74.0 1.6
75.0 1.2
76.0 2.0
77.0 1.9
78.0 3.2
79.0 2.2
80.0 7.2
81.0 1.2
90.0 1.7
91.0 50.7
92.0 23.0
93.0 100.0
94.0 8.2
106.0 1.9
108.0 7.7
109.0 3.1
138.0 4.6
155.0 22.1
156.0 2.5
157.0 1.4
173.0 37.7
174.0 3.4
175.0 2.4
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C6 H7 N O3 S
|
0.049 g : 0.5 ml DMSO-d6
|
| o-aminobenzenesulfonic acid
|
 |
Assign. Shift(ppm)
A 9.17
B 7.78
C 7.69 to 7.10
|
Hz ppm Int.
820.94 9.167 1000
702.25 7.842 144
701.25 7.830 135
700.13 7.818 179
698.50 7.800 150
695.56 7.767 317
693.13 7.740 308
692.50 7.733 256
673.19 7.517 185
671.31 7.496 89
670.69 7.489 111
669.44 7.475 243
666.94 7.447 598
666.25 7.440 537
664.94 7.425 195
663.94 7.414 404
662.31 7.396 213
660.44 7.375 778
659.38 7.363 437
657.13 7.338 183
655.38 7.318 193
654.19 7.305 127
651.00 7.269 101
650.25 7.261 95
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| 1H NMR |
399.65 MHz |
| C6 H7 N O3 S
|
0.037 g : 0.5 ml DMSO-d6
|
| o-aminobenzenesulfonic acid
|
|
Assign. Shift(ppm)
A 7.777
B 7.481
C 7.399
D 7.338
|
Hz ppm Int.
3113.04 7.790 728
3111.57 7.786 793
3105.35 7.771 829
3103.88 7.767 867
2999.51 7.506 294
2998.05 7.502 324
2991.94 7.487 733
2990.48 7.483 746
2984.38 7.468 589
2982.79 7.464 580
2964.72 7.419 523
2963.62 7.416 602
2957.15 7.400 788
2956.05 7.397 864
2949.58 7.381 381
2948.49 7.378 395
2943.12 7.365 46
2936.77 7.349 1000
2935.79 7.346 986
2928.96 7.329 799
2927.98 7.327 778
2372.80 5.938 37