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返回ChemicalBook首页>CAS数据库列表>18595-18-1更多图谱> 3-氨基-4-甲基苯甲酸甲酯(18595-18-1)核磁图(13CNMR)

18595-18-1

3-氨基-4-甲基苯甲酸甲酯(18595-18-1)核磁图(13CNMR)

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

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    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

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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
    ChemicalStructure
        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

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KBr disc

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nujol mull

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