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Back ChemicalBook Home>CAS DataBase List>1197-19-9More Spectrum> 4-(DIMETHYLAMINO)BENZONITRILE(1197-19-9) 13C NMR

4-(DIMETHYLAMINO)BENZONITRILE(1197-19-9) 13C NMR

Molecular FormulaC9H10N2

Molecular Weight146.19

InChIInChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

InChIKey JYMNQRQQBJIMCV-UHFFFAOYSA-N

SmilesC(#N)C1=CC=C(N(C)C)C=C1


  • Mass

    MS-NW-6497          
    p-(dimethylamino)benzonitrile
    C9H10N2             (Mass of molecular ion:    146)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.4
          27.0       1.3
          28.0       2.1
          38.0       1.1
          39.0       2.0
          42.0       5.8
          43.0       1.2
          44.0       1.9
          50.0       2.8
          51.0       3.6
          52.0       1.6
          62.0       1.0
          63.0       2.1
          64.0       2.3
          65.0       1.7
          72.5       2.1
          73.0       2.8
          74.0       1.0
          75.0       4.1
          76.0       3.7
          77.0       3.0
          89.0       1.2
          90.0       1.5
          91.0       1.3
         102.0      11.5
         103.0       2.4
         104.0       2.6
         116.0       2.5
         117.0       1.8
         118.0       1.5
         119.0       1.0
         128.0       1.7
         129.0      10.4
         130.0       9.4
         131.0       2.6
         143.0       2.7
         144.0       1.2
         145.0     100.0
         146.0      77.0
         147.0       7.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H10 N2 0.041 g : 0.5 ml CDCl3
    p-(dimethylamino)benzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.434 B 6.626 C 3.023

         Hz     ppm     Int.
    

        671.13   7.494    109
        668.94   7.470     34
        664.13   7.416     34
        661.94   7.392    143
        597.69   6.674    100
        595.50   6.650     30
        590.69   6.596     23
        588.56   6.572     80
        270.75   3.024   1000
    

in CDCl3



KBr disc



nujol mull





4-(DIMETHYLAMINO)BENZONITRILE(1197-19-9) 13C NMR Atlas of Related Products

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