Methyl 2-(methylamino)benzoate(85-91-6) IR2
Product NameMethyl 2-(methylamino)benzoate
CAS85-91-6
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
InChIKey GVOWHGSUZUUUDR-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=CC=C1NC
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MassMS-NW-1747 methyl o-(methylamino)benzoate C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 6.5 18.0 1.1 27.0 2.6 28.0 5.2 29.0 2.0 30.0 7.5 37.0 1.6 38.0 4.0 39.0 9.7 41.0 1.9 42.0 1.4 50.0 8.6 51.0 18.8 51.5 1.3 52.0 7.8 52.5 2.7 53.0 2.1 62.0 2.8 63.0 10.1 64.0 10.3 65.0 8.1 66.0 2.4 66.5 6.4 67.0 2.7 74.0 3.7 75.0 3.4 76.0 5.8 77.0 52.4 78.0 30.8 79.0 12.8 80.0 1.1 82.5 1.0 90.0 2.9 91.0 11.2 92.0 11.0 93.0 1.6 103.0 1.1 104.0 71.3 105.0 97.8 106.0 18.9 107.0 1.8 116.0 5.4 119.0 6.9 120.0 3.0 132.0 51.9 133.0 31.4 134.0 25.6 135.0 2.4 148.0 1.6 150.0 4.3 151.0 4.1 164.0 1.4 165.0 100.0 166.0 10.4 167.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 N O2 0.05 ml : 0.5 ml CDCl3 methyl o-(methylamino)benzoate 
Assign. Shift(ppm)
A 7.880 B 7.6 C 7.35 D 6.62 E 6.57 F 3.820 G 2.875
Hz ppm Int.711.00 7.939 54 710.44 7.933 54 709.25 7.920 58 708.81 7.915 54 703.13 7.851 60 702.63 7.846 62 701.31 7.831 66 700.88 7.826 63 660.56 7.376 34 658.69 7.355 53 657.38 7.341 33 651.88 7.279 37 650.13 7.260 33 598.06 6.678 80 595.75 6.652 70 594.56 6.639 35 588.88 6.576 98 587.81 6.564 73 586.75 6.552 42 580.88 6.486 38 579.69 6.473 30 342.19 3.821 1000 260.06 2.904 314 255.00 2.848 302
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
OXIDATION WITH PBA IN ETHANOL
OXIDATION WITH PERBENZOIC ACID IN DIOXANE
