2-Amino-3,5-dimethylbenzoic acid(14438-32-5) IR2
Product Name2-Amino-3,5-dimethylbenzoic acid
CAS14438-32-5
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey GIMYRAQQQBFFFJ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(C)=CC(C)=C1N
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MassMS-KW-0177 3,5-dimethylanthranilic acid C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.8 27.0 1.7 28.0 3.7 39.0 4.8 41.0 2.4 42.0 1.2 46.5 1.9 50.0 1.3 51.0 4.1 52.0 4.1 53.0 2.9 54.0 1.2 58.5 9.5 59.0 2.2 59.5 2.5 63.0 2.3 64.0 1.0 65.0 7.8 66.0 1.6 73.5 8.8 74.0 2.3 76.0 1.2 77.0 6.5 78.0 2.8 79.0 1.2 82.5 4.0 89.0 2.3 90.0 2.0 91.0 14.1 92.0 4.0 93.0 2.0 102.0 1.3 103.0 1.6 104.0 15.6 105.0 1.8 106.0 1.0 116.0 3.1 117.0 4.7 118.0 43.4 119.0 91.7 120.0 13.6 121.0 1.7 132.0 1.4 146.0 12.7 147.0 57.2 148.0 7.4 164.0 1.9 165.0 100.0 166.0 10.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H11 N O2 0.038 g : 0.5 ml DMSO-d6 3,5-dimethylanthranilic acid 
Assign. Shift(ppm)
A 7.449 B 7.002 C *1 2.139 D *1 2.087
Hz ppm Int.2976.99 7.449 196 2799.22 7.005 192 2798.61 7.003 192 2798.00 7.002 192 855.10 2.140 1000 847.32 2.121 30 846.10 2.118 28 842.13 2.108 33 834.35 2.088 948
in DMSO-d6
KBr disk
Nujol
