18595-18-1

3-氨基-4-甲基苯甲酸甲酯(18595-18-1)红外图谱(IR2)

产品名称:3-氨基-4-甲基苯甲酸甲酯

CAS:18595-18-1

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,10H2,1-2H3

InChIKey: YEPWCJHMSVABPQ-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC=C(C)C(N)=C1

Mass

MS-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

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