2-Amino-6-methylbenzoic acid(4389-50-8) IR2
Product Name2-Amino-6-methylbenzoic acid
CAS4389-50-8
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey XHYVBIXKORFHFM-UHFFFAOYSA-N
SmilesC(O)(=O)C1=C(C)C=CC=C1N
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MassMS-NW-6845 2-amino-6-methylbenzoic acid C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.1 27.0 2.6 28.0 2.1 37.0 1.2 38.0 2.7 39.0 7.1 40.0 1.2 41.0 1.9 42.0 1.0 44.0 5.0 45.0 1.2 50.0 3.0 51.0 7.7 51.5 1.5 52.0 6.9 52.5 5.0 53.0 4.4 53.5 1.9 54.0 1.7 62.0 1.7 63.0 3.6 64.0 1.8 65.0 3.4 66.0 2.0 66.5 4.2 67.0 1.6 75.0 1.2 76.0 2.0 77.0 15.2 78.0 16.5 79.0 8.8 80.0 1.8 89.0 2.4 90.0 2.2 91.0 1.3 104.0 21.0 105.0 18.0 106.0 39.8 107.0 13.9 108.0 1.2 133.0 100.0 134.0 11.8 151.0 59.4 152.0 5.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H9 N O2 0.035 g : 0.5 ml DMSO-d6 2-amino-6-methylbenzoic acid 
Assign. Shift(ppm)
A 7.008 B 6.591 C 6.385 D 2.347
Hz ppm Int.2808.99 7.029 123 2801.51 7.010 166 2800.75 7.009 164 2793.43 6.990 146 2638.24 6.602 147 2630.16 6.582 136 2555.39 6.395 146 2548.07 6.376 140 938.11 2.348 1000
in CDCl3
in DMSO-d6
KBr disc
nujol mull
