1-Aminonaphthalene-6-sulfonic acid(119-79-9) MS
Product Name1-Aminonaphthalene-6-sulfonic acid
CAS119-79-9
Molecular FormulaC10H9NO3S
Molecular Weight223.25
InChIInChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)
InChIKey UWPJYQYRSWYIGZ-UHFFFAOYSA-N
SmilesC1=C2C(C(N)=CC=C2)=CC=C1S(O)(=O)=O
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MassMS-NW-0381 5-amino-2-naphthalenesulfonic acid C10H9NO3S (Mass of molecular ion: 223)
Source Temperature: 190 °C Sample Temperature: 250 °C Direct, 75 eV
18.0 2.7 28.0 1.1 39.0 2.7 41.0 1.6 43.0 1.1 50.0 2.3 51.0 2.8 52.0 1.2 55.0 1.3 57.0 1.1 57.5 2.8 62.0 1.9 63.0 4.0 64.0 1.3 65.0 3.0 70.5 6.8 71.0 2.7 74.0 2.1 75.0 4.0 76.0 1.6 77.0 3.5 87.0 1.5 88.0 2.2 89.0 3.5 94.0 1.0 99.0 1.4 102.0 1.6 103.0 2.6 111.0 2.6 111.5 1.8 113.0 3.6 114.0 6.8 115.0 44.7 116.0 5.8 127.0 1.1 128.0 3.4 130.0 10.8 131.0 2.5 140.0 4.1 141.0 5.7 142.0 14.5 143.0 4.6 158.0 1.1 159.0 3.8 192.0 3.1 194.0 1.1 195.0 1.3 222.0 1.1 223.0 100.0 224.0 12.4 225.0 5.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H9 N O3 S saturated in DMSO-d6 5-amino-2-naphthalenesulfonic acid 
Assign. Shift(ppm)
A 8.204 B 7.986 C 7.943 D 7.819 E 7.57
Hz ppm Int.3279.42 8.206 567 3277.83 8.202 529 3198.61 8.004 38 3196.17 7.998 184 3191.16 7.985 257 3186.65 7.974 207 3183.96 7.967 52 3183.11 7.965 60 3179.93 7.957 306 3174.68 7.944 32 3171.02 7.935 445 3129.15 7.830 382 3127.44 7.826 345 3120.36 7.808 286 3118.65 7.804 274 3031.49 7.586 96 3028.08 7.577 1000 3024.17 7.568 572 3022.71 7.564 530 3018.92 7.554 32 3015.26 7.545 57
DMSO-d6
KBr disc
nujol mull
