2-Amino-4-nitrobenzoic acid (619-17-0) IR1
Product Name2-Amino-4-nitrobenzoic acid
CAS619-17-0
Molecular FormulaC7H6N2O4
Molecular Weight182.13
InChIInChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKey UEALKTCRMBVTFN-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C([N+]([O-])=O)C=C1N
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MassMS-NW-7037 2-amino-4-nitrobenzoic acid C7H6N2O4 (Mass of molecular ion: 182)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.0 18.0 4.2 27.0 1.9 28.0 4.8 30.0 3.0 37.0 3.0 38.0 6.5 39.0 16.2 40.0 2.5 41.0 5.3 42.0 1.4 44.0 3.8 45.0 3.0 50.0 2.6 51.0 5.4 52.0 19.2 53.0 12.7 54.0 2.6 55.0 1.6 61.0 4.2 62.0 10.1 63.0 30.2 64.0 10.2 65.0 22.5 66.0 4.0 67.0 1.4 68.0 3.1 69.0 1.4 74.0 2.1 75.0 2.0 76.0 1.4 77.0 1.6 78.0 5.3 79.0 3.6 80.0 18.5 81.0 5.1 88.0 1.3 89.0 3.8 90.0 35.8 91.0 10.6 92.0 5.0 93.0 1.9 94.0 1.9 106.0 7.8 107.0 2.9 108.0 13.3 109.0 1.8 117.0 1.3 118.0 13.8 119.0 5.4 134.0 2.0 135.0 1.0 136.0 14.5 137.0 3.3 138.0 1.7 152.0 1.3 164.0 100.0 165.0 9.7 166.0 2.0 182.0 96.7 183.0 8.6 184.0 1.3
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H6 N2 O4 0.040 g : 0.5 ml DMSO-d6 2-amino-4-nitrobenzoic acid 
Assign. Shift(ppm)
A 9. B 7.924 C 7.656 D 7.256 J(B,D)=8.8HZ J(C,D)=2.4HZ
Hz ppm Int.804.59 8.984 75 714.70 7.981 764 705.98 7.883 1000 687.01 7.671 821 684.62 7.645 936 654.88 7.313 701 652.49 7.286 580 646.08 7.214 528 643.77 7.189 464
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1H NMR 399.65 MHz C7 H6 N2 O4 0.033 g : 0.5 ml DMSO-d6 2-amino-4-nitrobenzoic acid Assign. Shift(ppm)
A 7.930 B 7.661 C 7.258
Hz ppm Int.3173.83 7.942 925 3165.13 7.920 1000 3161.32 7.911 24 3062.90 7.664 934 3060.61 7.659 956 2906.19 7.272 569 2903.75 7.266 525 2897.49 7.251 530 2895.05 7.244 517
KBr disc
nujol mull
