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MS-NW-0486 2,5-dinitrobenzoic acid C7H4N2O6 (Mass of molecular ion: 212)
Source Temperature: 230 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 3.4 26.0 1.0 27.0 1.6 28.0 3.5 29.0 1.4 30.0 100.0 36.0 1.5 37.0 3.2 38.0 5.1 39.0 3.9 44.0 9.3 45.0 4.1 46.0 2.5 49.0 1.2 50.0 18.2 51.0 4.1 52.0 4.6 53.0 12.3 54.0 1.2 55.0 1.6 57.0 1.5 61.0 2.8 62.0 7.2 63.0 18.3 64.0 14.8 65.0 1.9 66.0 2.0 68.0 1.0 73.0 3.6 74.0 20.9 75.0 39.5 76.0 14.4 77.0 3.4 79.0 2.2 80.0 2.2 90.0 2.8 91.0 7.8 92.0 31.7 93.0 3.0 103.0 1.8 104.0 1.3 106.0 1.0 108.0 2.7 119.0 1.4 120.0 21.6 121.0 2.3 122.0 10.7 148.0 6.0 149.0 1.1 164.0 1.8 166.0 1.1 168.0 34.9 169.0 2.9 182.0 2.6 195.0 1.3 196.0 1.2 212.0 21.6 213.0 2.1
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H4 N2 O6 0.040 g : 0.5 ml CDCl3 2,5-dinitrobenzoic acid Assign. Shift(ppm)
A 13. B 8.59 C 8.59 D 8.249 B AND C WERE CONFIRMED BY LAOCN PROGRAM. J(B,C)=2.5HZ, J(C,D)=9.5HZ
Hz ppm Int.
775.49 8.659 188 772.95 8.631 575 770.31 8.602 807 767.97 8.575 1000 766.02 8.554 992 763.48 8.525 338 742.38 8.290 922 738.09 8.242 151 737.40 8.234 148 733.01 8.185 511
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