Aniline-2-sulfonic acid(88-21-1) 1H NMR
Product NameAniline-2-sulfonic acid
CAS88-21-1
Molecular FormulaC6H7NO3S
Molecular Weight173.19
InChIInChI=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
SmilesC1(S(O)(=O)=O)=CC=CC=C1N
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MassMS-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
in DMSO-d6
KBr disc
nujol mull
