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Back ChemicalBook Home>CAS DataBase List>578-54-1More Spectrum> 2-Ethylaniline(578-54-1) IR1

2-Ethylaniline(578-54-1) IR1

Product Name2-Ethylaniline

CAS578-54-1

Molecular FormulaC8H11N

Molecular Weight121.18

InChIInChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3

InChIKey MLPVBIWIRCKMJV-UHFFFAOYSA-N

SmilesC1(N)=CC=CC=C1CC


  • Mass

    MS-NW-0458          
    o-ethylaniline
    C8H11N              (Mass of molecular ion:    121)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       1.8
          28.0       2.4
          30.0       1.8
          39.0       4.2
          41.0       1.4
          42.0       1.1
          50.0       1.2
          51.0       3.3
          52.0       2.4
          53.0       3.6
          54.0       1.0
          58.5       1.0
          63.0       1.6
          65.0       3.4
          66.0       1.5
          77.0      10.6
          78.0       3.5
          79.0       6.5
          80.0       1.4
          89.0       1.0
          91.0       2.8
          92.0       1.1
          93.0       2.1
         103.0       2.6
         104.0       1.8
         106.0     100.0
         107.0       8.2
         118.0       1.9
         119.0       1.5
         120.0       4.7
         121.0      45.5
         122.0       4.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H11 N 10.5 mol% in CDCl3
    o-ethylaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.47 B 1.216 C 2.46 D 6.61 E 6.71 F 7.00 G 7.04

         Hz     ppm     Int.
    

        636.56   7.108     53
        634.75   7.088    140
        634.31   7.083    137
        632.94   7.068     89
        627.69   7.009    313
        627.13   7.003    298
        626.63   6.997    228
        625.88   6.989    154
        621.00   6.934    173
        619.13   6.914     92
        609.13   6.802    125
        607.63   6.785    172
        602.63   6.729     86
        600.56   6.706    168
        596.00   6.655    218
        594.69   6.641    170
        592.94   6.621     97
        588.44   6.571    140
        586.63   6.551     88
        310.50   3.467    722
        232.19   2.593     79
        224.56   2.508    256
        217.13   2.425    281
        209.75   2.343    110
        115.81   1.294    465
        113.94   1.273     42
        108.50   1.212   1000
        108.06   1.207    655
        106.25   1.187     63
        100.81   1.126    338
    

in CDCl3



CCl4 solution



liquid film





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