2-Aminonaphthalene-1-sulfonic acid(81-16-3) IR2
Product Name2-Aminonaphthalene-1-sulfonic acid
CAS81-16-3
Molecular FormulaC10H9NO3S
Molecular Weight223.25
InChIInChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKey GWIAAIUASRVOIA-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=C2C(C=CC=C2)=CC=C1N
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MassMS-NW-0297 tobias acid C10H9NO3S (Mass of molecular ion: 223)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.0 28.0 1.0 39.0 1.6 48.0 3.9 50.0 1.1 51.0 1.4 57.5 1.2 58.5 2.3 62.0 1.5 63.0 3.0 64.0 4.7 65.0 1.5 70.5 2.9 71.5 5.3 74.0 1.0 75.0 1.0 80.0 7.4 88.0 1.0 89.0 3.3 113.0 1.4 114.0 2.2 115.0 30.2 116.0 12.7 117.0 2.0 126.0 1.8 140.0 1.6 141.0 1.5 142.0 4.2 143.0 100.0 144.0 11.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H9 N O3 S 0.037 g : 0.5 ml DMSO-d6 tobias acid 
Assign. Shift(ppm)
A 9.4 B 9.013 C 8.048 D 7.943 E 7.628 F 7.567 G 7.372
Hz ppm Int.3767.70 9.428 111 3605.65 9.023 539 3597.56 9.002 532 3596.80 9.000 552 3220.83 8.060 670 3212.13 8.038 714 3178.71 7.954 459 3171.39 7.936 495 3170.32 7.933 492 3058.17 7.653 225 3056.64 7.649 257 3054.20 7.643 63 3051.30 7.635 400 3049.77 7.632 492 3047.94 7.627 276 3042.60 7.614 404 3041.08 7.610 382 3037.72 7.601 46 3031.46 7.586 407 3030.09 7.582 444 3024.60 7.569 321 3023.38 7.566 558 3022.16 7.563 444 3016.51 7.548 246 3015.29 7.545 235 2950.59 7.383 1000 2946.47 7.373 57 2945.71 7.371 57 2941.89 7.362 955
in DMSO-d6
KBr disc
nujol mull
