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Back ChemicalBook Home>CAS DataBase List>95-64-7More Spectrum> 3,4-Dimethylaniline(95-64-7) IR3

3,4-Dimethylaniline(95-64-7) IR3

Product Name3,4-Dimethylaniline

CAS95-64-7

Molecular FormulaC8H11N

Molecular Weight121.18

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

InChIKey DOLQYFPDPKPQSS-UHFFFAOYSA-N

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


  • Mass

    MS-NW-1683          
    3,4-xylidine
    C8H11N              (Mass of molecular ion:    121)
    

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

          27.0       3.1
          28.0       3.8
          30.0       1.0
          38.0       1.2
          39.0       6.0
          41.0       3.1
          42.0       2.7
          50.0       1.9
          51.0       4.8
          52.0       3.3
          53.0       4.8
          54.0       1.9
          58.5       2.5
          59.5       2.3
          60.5       1.7
          63.0       2.0
          65.0       4.0
          66.0       1.7
          77.0      12.2
          78.0       3.6
          79.0       3.7
          80.0       2.6
          91.0       7.5
          92.0       1.8
          93.0       4.6
          94.0       1.7
         103.0       2.7
         104.0       2.4
         105.0       1.3
         106.0      55.3
         107.0       4.6
         117.0       1.0
         118.0       3.1
         119.0       2.8
         120.0      66.9
         121.0     100.0
         122.0       8.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H11 N 0.041 g : 0.5 ml CDCl3
    3,4-xylidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.89 B 6.49 C 6.46 D 3.42 E *1 2.170 F *1 2.142

         Hz     ppm     Int.
    

        621.75   6.943     97
        614.19   6.858    137
        581.25   6.491    352
        578.56   6.461     60
        573.56   6.405     96
        571.13   6.378     60
        306.56   3.423    652
        194.38   2.171    887
        191.81   2.142   1000
    

in CDCl3



CCl4 solution



KBr disc



nujol mull





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