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网站主页CAS数据库列表 100-70-9更多图谱2-氰基吡啶(100-70-9)质谱(MS)

2-氰基吡啶

产品名称 2-氰基吡啶

CAS号100-70-9

分子式C6H4N2

分子量104.11

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  • Mass

    MS-NW-1288          
    2-pyridinecarbonitrile
    C6H4N2              (Mass of molecular ion:    104)
    

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

          18.0       2.1
          26.0       8.4
          27.0       1.8
          28.0       2.6
          37.0       3.0
          38.0       3.1
          39.0       2.1
          49.0       3.1
          50.0      18.5
          51.0      14.4
          52.0       9.6
          53.0       5.9
          64.0       4.1
          75.0       5.2
          76.0      10.5
          77.0      41.0
          78.0       7.4
         103.0       3.3
         104.0     100.0
         105.0       7.2
    

90 MHz in CDCl3

parameter in CCl4


  • 1H NMR 89.56 MHz
    C6 H4 N2 0.04 ml : 0.5 ml CDCl3
    2-pyridinecarbonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.742 B 7.881 C 7.747 D 7.579

         Hz     ppm     Int.
    

        786.81   8.786    264
        785.81   8.775    316
        785.06   8.766    340
        784.06   8.755    306
        782.06   8.733    306
        781.06   8.722    343
        780.31   8.713    362
        779.31   8.702    316
        716.81   8.004    248
        715.06   7.985    250
        709.56   7.923    396
        709.06   7.918    584
        707.81   7.904    362
        707.31   7.898    608
        705.88   7.882     37
        701.81   7.837    992
        700.06   7.817    953
        697.44   7.788    631
        696.38   7.776    696
        695.63   7.768   1000
        694.63   7.757    936
        692.44   7.732     35
        691.38   7.720     42
        689.69   7.701    396
        688.63   7.690    381
        687.88   7.681    245
        686.88   7.670    218
        684.75   7.646    756
        682.94   7.626    534
        679.94   7.593    661
        678.19   7.573    508
        677.44   7.565    493
        675.63   7.544    388
        672.69   7.512    434
        670.88   7.491    365
    


  • 1H NMR 300 MHz
    C6 H4 N2 10 vol% in CCl4
    2-pyridinecarbonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.69 D(B) 7.55 D(C) 7.88 D(D) 7.70 J(A,B) 4.84 J(A,C) 1.74 J(A,D) 0.96 J(B,C) 7.85 J(B,D) 1.19 J(C,D) 7.80 SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)

         Hz     ppm     Int.
    

       2610.78   8.703    521
       2609.81   8.699    601
       2609.07   8.697    609
       2608.11   8.694    549
       2605.95   8.686    554
       2604.98   8.683    619
       2604.24   8.681    619
       2603.27   8.678    544
       2373.10   7.910    371
       2371.37   7.905    369
       2365.30   7.884    910
       2363.57   7.879    899
       2357.50   7.858    578
       2355.78   7.853    568
       2314.71   7.716    607
       2313.62   7.712   1000
       2312.56   7.709    653
       2306.91   7.690    476
       2305.83   7.686    750
       2304.76   7.683    472
       2271.76   7.573    542
       2270.52   7.568    517
       2266.92   7.556    538
       2265.70   7.552    525
       2263.96   7.547    487
       2262.72   7.542    454
       2259.12   7.530    451
       2257.90   7.526    432
    

in CDCl3



CCl4 solution



liquid film