Methyl 3-amino-4-methylbenzoate(18595-18-1) MS
Product NameMethyl 3-amino-4-methylbenzoate
CAS18595-18-1
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,10H2,1-2H3
InChIKey YEPWCJHMSVABPQ-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=C(C)C(N)=C1
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MassMS-IW-9521 methyl 3-amino-p-toluate C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.4 27.0 2.5 28.0 5.8 29.0 1.1 30.0 1.8 38.0 1.8 39.0 6.1 40.0 1.0 41.0 1.8 42.0 1.5 50.0 2.9 51.0 7.2 52.0 6.3 52.5 2.5 53.0 10.3 54.0 2.1 62.0 1.1 63.0 3.4 64.0 1.1 65.0 3.1 66.0 2.1 67.0 6.2 75.0 1.2 76.0 1.7 77.0 20.5 78.0 7.4 79.0 19.4 80.0 2.3 82.5 2.1 89.0 1.5 91.0 3.1 92.0 1.5 93.0 1.1 104.0 7.9 105.0 7.5 106.0 78.6 107.0 16.3 108.0 1.2 119.0 1.4 120.0 1.8 133.0 1.2 134.0 100.0 135.0 9.8 136.0 2.7 150.0 3.1 164.0 5.4 165.0 96.3 166.0 10.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H11 N O2 0.038 g : 0.5 ml CDCl3 methyl 3-amino-p-toluate 
Assign. Shift(ppm)
A 7.368 B 7.342 C 7.091 D 3.868 E 3.73 F 2.189
Hz ppm Int.2949.83 7.382 69 2948.12 7.377 84 2942.14 7.362 72 2940.43 7.358 105 2935.18 7.345 166 2933.59 7.341 127 2837.65 7.101 100 2829.83 7.081 86 1546.26 3.870 1000 1489.14 3.727 69 875.12 2.190 587
in CDCl3
KBr disc
nujol mull
