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100-48-1

4-Cyanopyridine

Product Name 4-Cyanopyridine

CAS100-48-1

MFC6H4N2

MW104.11

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  • 100-48-1_ms
    Mass

    MS-NW-1377          
    isonicotinonitrile
    C6H4N2              (Mass of molecular ion:    104)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0      10.1
          27.0       1.2
          28.0       2.9
          37.0       3.4
          38.0       2.9
          39.0       1.2
          49.0       3.3
          50.0      21.3
          51.0      11.9
          52.0       5.9
          53.0       5.3
          62.0       1.0
          63.0       1.2
          64.0      13.8
          75.0       6.1
          76.0      15.3
          77.0      54.5
          78.0       5.7
         103.0       4.5
         104.0     100.0
         105.0       7.3
    

parameter in DMSO-d6

90 MHz in CDCl3

  • 100-48-1_1hnmr

    1H NMR 300 MHz
    C6 H4 N2 30 % in DMSO
    isonicotinonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.05 D(B) 8.00 J(A,A') 0.4 J(A,B) 5.1 J(A,B') 0.9 J(A',B) 0.9 J(A',B') 5.1 J(B,B') 1.5 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)

         Hz     ppm     Int.
    

       2718.00   9.060    960
       2716.55   9.055    578
       2713.50   9.045    582
       2712.04   9.040   1000
       2402.96   8.010   1000
       2401.51   8.005    582
       2398.47   7.995    575
       2397.00   7.990    960
    

  • 100-48-1_1hnmr_2

    1H NMR 89.56 MHz
    C6 H4 N2 0.042 g : 0.5 ml CDCl3
    isonicotinonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.828 B 7.554

         Hz     ppm     Int.
    

        793.75   8.863    629
        792.06   8.844    306
        789.38   8.814    335
        787.75   8.796    674
        679.50   7.588   1000
        677.88   7.570    530
        676.69   7.556     48
        676.25   7.551     44
        675.19   7.539    412
        673.50   7.521    985
    

in CDCl3

  • 100-48-1_13cnmr

CCl4 solution

  • 100-48-1_ir1_3

KBr disc

  • 100-48-1_ir2_2

nujol mull

  • 100-48-1_ir3