p-Anisidine-2-sulfonic acid(6470-17-3) IR2
Product Namep-Anisidine-2-sulfonic acid
CAS6470-17-3
Molecular FormulaC7H9NO4S
Molecular Weight203.22
InChIInChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChIKey JXZGTFLJFKLVAX-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=CC(N)=CC=C1OC
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MassMS-IW-2156 5-amino-2-methoxybenzenesulfonic acid C7H9NO4S (Mass of molecular ion: 203)
Source Temperature: 180 °C Sample Temperature: 210 °C Direct, 75 eV
15.0 2.0 17.0 1.4 18.0 5.9 27.0 1.4 28.0 4.3 38.0 1.8 39.0 4.2 41.0 2.9 48.0 4.5 50.0 2.4 51.0 8.3 52.0 24.7 53.0 10.5 53.5 1.2 54.0 2.1 61.0 1.7 62.0 2.8 63.0 5.4 64.0 10.7 65.0 5.5 66.0 1.6 67.0 1.7 68.0 1.0 76.0 1.0 77.0 2.1 78.0 9.6 79.0 16.8 80.0 19.7 81.0 1.8 90.0 2.3 91.0 2.1 92.0 2.4 93.0 1.2 95.0 5.0 106.0 84.7 107.0 13.9 108.0 20.5 109.0 3.8 110.0 3.1 121.0 31.2 122.0 11.1 123.0 15.8 124.0 1.9 138.0 1.8 170.0 10.3 188.0 84.4 189.0 8.0 190.0 5.0 203.0 100.0 204.0 9.4 205.0 5.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H9 N O4 S 0.037 g : 0.5 ml DMSO-d6 5-amino-2-methoxybenzenesulfonic acid 
Assign. Shift(ppm)
A 7.292 B 7.275 C 7.057 D 3.790
Hz ppm Int.2919.19 7.305 173 2910.40 7.283 235 2908.94 7.279 219 2906.01 7.272 204 2825.81 7.071 107 2822.88 7.064 103 2817.14 7.050 93 2814.21 7.042 88 1514.89 3.791 1000
in DMSO-d6
KBr disc
nujol mull
