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Back ChemicalBook Home>CAS DataBase List>108-44-1More Spectrum> m-Toluidine(108-44-1) 13C NMR

m-Toluidine(108-44-1) 13C NMR

Product Namem-Toluidine

CAS108-44-1

Molecular FormulaC7H9N

Molecular Weight107.15

InChIInChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3

InChIKey JJYPMNFTHPTTDI-UHFFFAOYSA-N

SmilesC1(N)=CC=CC(C)=C1


  • Mass

    MS-NW-2181          
    m-toluidine
    C7H9N               (Mass of molecular ion:    107)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       2.6
          28.0       3.9
          30.0       1.4
          38.0       2.2
          39.0       7.3
          40.0       1.3
          41.0       2.6
          42.0       2.1
          50.0       2.3
          51.0       4.6
          52.0       4.1
          52.5       1.3
          53.0       5.3
          53.5       2.3
          54.0       2.0
          62.0       1.0
          63.0       2.5
          64.0       1.3
          65.0       4.1
          66.0       1.7
          77.0      12.2
          78.0       4.4
          79.0      13.7
          80.0       5.1
          89.0       2.7
          90.0       2.8
          91.0       3.6
         104.0       2.2
         105.0       1.0
         106.0      81.1
         107.0     100.0
         108.0       7.8
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H9 N 0.04 ml : 0.5 ml CDCl3
    m-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.01 B 6.56 C 6.49 D 6.47 E 3.46 F 2.25

         Hz     ppm     Int.
    

        637.38   7.117     76
        629.94   7.034    125
        628.75   7.021    107
        626.88   7.000     39
        621.44   6.939    159
        592.88   6.620     54
        592.19   6.613     92
        591.56   6.606    131
        590.88   6.598    138
        590.25   6.591    119
        589.56   6.583     84
        583.88   6.520    113
        582.06   6.500    273
        581.50   6.493    309
        580.81   6.486    288
        580.19   6.479    252
        579.50   6.471    210
        578.81   6.463    150
        577.88   6.453     95
        577.19   6.445     77
        575.75   6.429     86
        575.19   6.423     99
        574.63   6.417     91
        574.06   6.410     77
        573.50   6.404     56
        572.81   6.396     45
        572.25   6.390     40
        310.19   3.464    810
        201.06   2.245   1000
    

in CDCl3



CCl4 solution



liquid film





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