3-Amino-2-methylbenzoic acid(52130-17-3) IR1
Product Name3-Amino-2-methylbenzoic acid
CAS52130-17-3
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey BYHMLZGICSEKIY-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(N)=C1C
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MassMS-IW-9067 3-amino-o-toluic acid C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.8 18.0 9.1 27.0 2.2 28.0 5.9 30.0 1.6 38.0 1.4 39.0 5.0 41.0 2.1 42.0 1.3 44.0 1.0 50.0 3.1 51.0 7.5 51.5 1.2 52.0 6.3 52.5 6.4 53.0 6.3 54.0 1.9 62.0 1.2 63.0 2.8 64.0 1.0 65.0 2.6 66.0 1.7 66.5 8.0 67.0 3.8 74.0 1.0 75.0 1.2 75.5 1.7 76.0 1.7 77.0 16.3 78.0 8.1 79.0 11.2 80.0 1.9 89.0 1.2 90.0 1.0 93.0 1.3 94.0 5.6 104.0 13.1 105.0 40.6 106.0 61.2 107.0 6.8 122.0 1.5 133.0 14.2 134.0 6.9 135.0 1.1 150.0 6.4 151.0 100.0 152.0 9.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H9 N O2 0.040 g : 0.5 ml DMSO-d6 3-amino-o-toluic acid 
Assign. Shift(ppm)
A 6.949 B 6.919 C 6.787 D 2.209
Hz ppm Int.2786.99 6.974 57 2779.42 6.955 180 2771.97 6.936 191 2768.07 6.927 167 2766.24 6.922 190 2760.50 6.908 77 2758.67 6.903 51 2716.55 6.798 139 2714.84 6.794 131 2709.11 6.779 114 2707.40 6.775 105 883.06 2.210 1000
in DMSO-d6
KBr disc
nujol mull
