N-METHYLANTHRANILIC ACID(119-68-6) 1H NMR
Product NameN-METHYLANTHRANILIC ACID
CAS119-68-6
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey WVMBPWMAQDVZCM-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC=C1NC
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MassMS-NW-4863 o-(methylamino)benzoic acid C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.8 18.0 1.3 27.0 2.1 28.0 4.3 30.0 14.5 37.0 1.1 38.0 2.2 39.0 6.5 44.0 1.6 45.0 1.0 50.0 3.8 51.0 9.9 52.0 3.5 52.5 1.5 53.0 1.4 62.0 1.1 63.0 4.1 64.0 5.2 65.0 5.1 66.0 1.6 66.5 2.0 74.0 1.2 75.0 1.3 76.0 2.8 77.0 31.0 78.0 31.8 79.0 6.6 90.0 2.2 91.0 3.6 92.0 7.9 93.0 1.2 103.0 1.0 104.0 70.0 105.0 77.8 106.0 13.9 107.0 3.7 119.0 1.2 132.0 22.4 133.0 24.1 134.0 4.3 150.0 1.0 151.0 100.0 152.0 9.3
90 MHz in CDCl3
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C8 H9 N O2 0.047 g : 0.5 ml CDCl3 o-(methylamino)benzoic acid 
Assign. Shift(ppm)
A 10.1 B 7.809 C 7.379 D 6.71 E 6.57 F 2.839
Hz ppm Int.704.52 7.867 133 702.76 7.847 150 696.61 7.779 155 696.31 7.775 154 694.85 7.759 168 670.24 7.484 79 668.41 7.464 77 663.21 7.406 110 661.60 7.388 159 659.99 7.370 107 654.71 7.311 127 652.95 7.291 111 602.20 6.724 185 599.78 6.697 32 599.41 6.693 33 599.12 6.690 32 595.83 6.653 169 594.58 6.639 224 591.28 6.603 41 588.72 6.574 144 587.84 6.564 177 586.89 6.554 113 580.88 6.486 91 579.79 6.474 76 254.37 2.841 1000
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1H NMR 399.65 MHz C8 H9 N O2 0.041 g : 0.5 ml DMSO-d6 o-(methylamino)benzoic acid Assign. Shift(ppm)
A 7.816 B 7.387 C 6.687 D 6.575 E 2.842
Hz ppm Int.3128.85 7.829 120 3127.20 7.825 119 3120.97 7.810 125 3119.14 7.805 120 2961.07 7.410 67 2959.42 7.406 66 2953.93 7.392 78 2952.46 7.388 118 2950.81 7.384 73 2945.50 7.371 75 2943.85 7.367 69 2676.61 6.698 121 2675.88 6.696 124 2668.00 6.676 115 2634.67 6.593 76 2633.57 6.590 71 2627.52 6.575 96 2626.61 6.573 130 2619.65 6.555 71 2618.55 6.553 63 1136.00 2.843 1000
KBr disc
nujol mull
OXIDATION WITH PBA IN DIOXANE
OXIDATION WITH PBA IN ETHANOL
