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3261-62-9

对甲基苯乙胺(3261-62-9)核磁图(1HNMR)

产品名称:对甲基苯乙胺

CAS:3261-62-9

分子式:C9H13N

分子量: 135.21

InChI:InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3

InChIKey: VKJXAQYPOTYDLO-UHFFFAOYSA-N

Smiles:C1(CCN)=CC=C(C)C=C1

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    Mass

    MS-NW-7577          
    4-methylphenethylamine
    C9H13N              (Mass of molecular ion:    135)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.5
          27.0       2.0
          28.0       2.4
          30.0     100.0
          31.0       1.5
          39.0       3.4
          41.0       1.0
          50.0       1.2
          51.0       3.2
          52.0       1.2
          53.0       1.6
          63.0       1.9
          65.0       2.8
          77.0       7.1
          78.0       2.5
          79.0       4.2
          89.0       1.1
          91.0      15.9
          92.0       1.4
         103.0       3.5
         104.0       2.8
         105.0      13.3
         106.0      39.5
         107.0       3.7
         115.0       1.2
         117.0       2.1
         118.0       2.7
         119.0       1.3
         132.0       1.5
         135.0       6.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H13 N 0.05 ml : 0.5 ml CDCl3
    4-methylphenethylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.07 B 2.89 C 2.68 D 2.296 E 1.81

         Hz     ppm     Int.
    

        633.13   7.070   1000
        268.13   2.994     38
        265.56   2.966     46
        262.63   2.933     51
        259.06   2.893    172
        257.00   2.870     26
        256.69   2.867     26
        254.31   2.840    135
        253.19   2.828    143
        244.94   2.735    123
        241.44   2.696     30
        239.06   2.670    129
        235.63   2.631     46
        232.75   2.599     36
        230.19   2.571     29
        205.88   2.299    660
        161.88   1.808    413
    

in CDCl3

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liquid film

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