5-Amino-2-nitrobenzoic acid(13280-60-9) MS
Product Name5-Amino-2-nitrobenzoic acid
CAS13280-60-9
Molecular FormulaC7H6N2O4
Molecular Weight182.13
InChIInChI=1S/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11)
InChIKey KZZWQCKYLNIOBT-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(N)=CC=C1[N+]([O-])=O
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MassMS-NW-2169 5-amino-2-nitrobenzoic acid C7H6N2O4 (Mass of molecular ion: 182)
Source Temperature: 230 °C Sample Temperature: 250 °C Direct, 75 eV
12.0 2.0 14.0 1.2 15.0 1.0 16.0 4.4 17.0 8.7 18.0 40.7 25.0 1.0 26.0 6.1 27.0 14.1 28.0 22.5 29.0 1.4 30.0 22.4 36.0 1.1 37.0 6.1 38.0 10.0 39.0 30.0 40.0 5.2 41.0 26.3 42.0 4.4 43.0 1.7 44.0 84.5 44.5 1.0 45.0 3.7 45.5 1.0 46.0 1.6 49.0 1.7 50.0 8.1 51.0 13.6 52.0 27.0 53.0 29.2 54.0 8.0 55.0 2.0 61.0 5.0 62.0 10.9 63.0 33.2 64.0 17.6 65.0 75.4 66.0 12.2 67.0 2.8 68.0 10.9 74.0 2.2 75.0 2.8 76.0 3.6 77.0 10.8 78.0 9.3 79.0 11.2 80.0 76.4 81.0 9.4 88.0 1.2 89.0 2.7 90.0 9.3 91.0 13.8 92.0 34.4 93.0 4.3 94.0 1.7 96.0 3.9 104.0 2.8 105.0 8.2 106.0 9.8 107.0 4.8 108.0 77.4 109.0 6.2 118.0 1.7 120.0 2.1 121.0 1.5 122.0 9.0 124.0 1.0 134.0 3.0 136.0 4.0 137.0 2.3 138.0 54.6 139.0 4.2 148.0 8.8 149.0 1.0 152.0 50.1 153.0 4.5 166.0 4.4 182.0 100.0 183.0 9.1 184.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 N2 O4 0.039 g : 0.5 ml DMSO-d6 5-amino-2-nitrobenzoic acid 
Assign. Shift(ppm)
A 13. B 7.907 C 6.8 D 6.661 E 6.619
Hz ppm Int.3165.94 7.922 924 3161.24 7.911 28 3156.97 7.900 934 2737.51 6.850 285 2668.06 6.676 435 2665.50 6.670 528 2659.08 6.654 370 2656.52 6.648 565 2646.69 6.623 1000 2644.34 6.617 771 0.00 0.001 30
KBr disc
nujol mull
