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网站主页CAS数据库列表 100-54-9更多图谱3-氰基吡啶(100-54-9)核磁图(13CNMR)

3-氰基吡啶

产品名称 3-氰基吡啶

CAS号100-54-9

分子式C6H4N2

分子量104.11

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  • Mass

    MS-NW-8720          
    nicotinonitrile
    C6H4N2              (Mass of molecular ion:    104)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          26.0       6.6
          28.0       2.7
          37.0       2.6
          38.0       3.1
          39.0       1.7
          49.0       3.4
          50.0      21.6
          51.0      12.6
          52.0       5.4
          53.0       4.3
          64.0       3.7
          74.0       1.0
          75.0       8.0
          76.0      17.1
          77.0      55.8
          78.0       5.1
         103.0       3.3
         104.0     100.0
         105.0       7.6
    

parameter in DMSO-d6

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H4 N2 30 % in DMSO
    nicotinonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.22 D(B) 8.47 D(C) 7.81 D(D) 9.03 J(A,B) 2.1 J(A,C) 1.0 J(A,D) 0.3 J(B,C) 8.1 J(B,D) 1.6 J(C,D) 5.0 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) J(A,D) LESS THAN 0.3HZ.

         Hz     ppm     Int.
    

       2767.43   9.225    896
       2766.57   9.222    992
       2765.45   9.218   1000
       2764.57   9.215    914
       2712.31   9.041    736
       2710.75   9.036    759
       2707.31   9.024    766
       2705.75   9.019    772
       2546.96   8.490    420
       2545.14   8.484    619
       2543.30   8.478    414
       2538.86   8.463    462
       2537.04   8.457    671
       2535.21   8.451    441
       2349.91   7.833    478
       2349.00   7.830    480
       2344.91   7.816    483
       2343.99   7.813    492
       2341.82   7.806    470
       2340.90   7.803    458
       2336.81   7.789    434
       2335.91   7.786    430
    


  • 1H NMR 89.56 MHz
    C6 H4 N2 0.051 g : 0.5 ml CDCl3
    nicotinonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.912 B 8.848 C 8.004 D 7.482

         Hz     ppm     Int.
    

        799.75   8.930    750
        798.94   8.921    816
        797.63   8.907    897
        796.81   8.897    893
        795.63   8.884    769
        793.88   8.865    732
        790.69   8.829    677
        788.94   8.810    724
        723.31   8.077    585
        721.56   8.057    753
        721.19   8.053    639
        719.44   8.034    550
        715.38   7.988    790
        713.56   7.968   1000
        713.19   7.964    890
        711.44   7.944    744
        676.31   7.552    798
        675.38   7.542    792
        671.38   7.497    737
        670.44   7.486    719
        668.38   7.463    596
        667.44   7.453    574
        663.44   7.408    543
        662.50   7.398    529
    

in CDCl3



KBr disc



liquid film



nujol mull