2-AMINO-3-METHOXYBENZOIC ACID(3177-80-8) IR1
Product Name2-AMINO-3-METHOXYBENZOIC ACID
CAS3177-80-8
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey SXOPCLUOUFQBJV-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(OC)=C1N
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MassMS-IW-8678 2-amino-3-methoxybenzoic acid C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 180 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.2 27.0 1.3 28.0 3.0 38.0 1.5 39.0 3.3 41.0 1.0 50.0 2.2 51.0 8.1 52.0 9.9 53.0 4.5 55.0 1.0 62.0 1.5 63.0 3.5 64.0 2.0 65.0 5.5 66.0 1.5 67.0 1.3 74.5 5.0 75.0 1.3 76.0 1.9 77.0 2.5 78.0 11.9 79.0 5.3 80.0 1.4 83.5 1.5 90.0 2.8 91.0 10.4 92.0 6.1 93.0 4.2 94.0 1.0 106.0 35.7 107.0 8.1 108.0 1.3 119.0 9.4 120.0 6.0 121.0 46.9 122.0 4.2 123.0 1.5 134.0 49.1 135.0 4.5 148.0 19.5 149.0 36.7 150.0 6.2 152.0 23.5 153.0 2.0 167.0 100.0 168.0 10.0 169.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H9 N O3 0.039 g : 0.5 ml DMSO-d6 2-amino-3-methoxybenzoic acid 
Assign. Shift(ppm)
A 7.359 B 6.956 C 6.515 D 3.812
Hz ppm Int.2946.17 7.372 139 2944.95 7.369 146 2938.08 7.352 155 2936.71 7.349 149 2784.88 6.969 116 2783.51 6.965 120 2776.95 6.949 133 2775.73 6.946 125 2611.39 6.535 138 2603.45 6.515 216 2595.52 6.495 125 1523.74 3.813 1000
in DMSO-d6
KBr disc
nujol mull
