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Back ChemicalBook Home>CAS DataBase List>87-60-5More Spectrum> 3-Chloro-2-methylaniline(87-60-5) MS

3-Chloro-2-methylaniline(87-60-5) MS

Molecular FormulaC7H8ClN

Molecular Weight141.6

InChIInChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3

InChIKey ZUVPLKVDZNDZCM-UHFFFAOYSA-N

SmilesC1(N)=CC=CC(Cl)=C1C


  • Mass

    MS-NW-1439          
    3-chloro-o-toluidine
    C7H8ClN             (Mass of molecular ion:    141)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.2
          27.0       2.4
          28.0       4.5
          30.0       4.3
          37.0       1.1
          38.0       1.9
          39.0       4.4
          41.0       1.3
          42.0       2.2
          50.0       4.7
          51.0       9.7
          51.5       2.1
          52.0       6.6
          52.5       8.9
          53.0       3.3
          54.0       1.7
          61.0       1.0
          62.0       1.6
          63.0       3.5
          65.0       1.6
          70.5       2.3
          73.0       1.2
          74.0       1.5
          75.0       2.2
          76.0       1.8
          77.0      18.8
          78.0       7.3
          79.0       8.9
          80.0       1.5
          89.0       7.5
          90.0       1.0
         104.0       7.4
         105.0       3.2
         106.0      72.5
         107.0       5.9
         113.0       1.8
         124.0       2.0
         140.0      32.0
         141.0     100.0
         142.0      17.2
         143.0      31.7
         144.0       2.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H8 Cl N 0.02 ml : 0.5 ml CDCl3
    3-chloro-o-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.93 B 6.78 C 6.55 D 3.57 E 2.200

         Hz     ppm     Int.
    

        620.31   6.927     99
        619.88   6.922     97
        612.69   6.842    182
        611.94   6.833    151
        609.69   6.808    208
        603.69   6.741     55
        590.00   6.588    109
        588.06   6.567    102
        583.25   6.513     55
        582.75   6.507     62
        580.81   6.486     63
        324.88   3.628     33
        323.69   3.615     43
        320.25   3.576     85
        319.63   3.569     85
        318.69   3.559     81
        315.63   3.525     42
        315.31   3.521     41
        314.81   3.516     37
        197.00   2.200   1000
    

in CDCl3



liquid film





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