图谱信息 供应商 相关产品
网站主页CAS数据库列表 4786-20-3更多图谱2-丁烯腈(4786-20-3)核磁图(13CNMR)

2-丁烯腈

产品名称 2-丁烯腈

CAS号4786-20-3

分子式C4H5N

分子量67.09

展开


  • Mass

    MS-NW-0900          
    crotononitrile
    C4H5N               (Mass of molecular ion:     67)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.6
          18.0       1.0
          25.0       1.3
          26.0       5.0
          27.0      18.6
          28.0       7.4
          32.0       1.1
          32.5       1.8
          36.0       2.1
          37.0      14.8
          38.0      18.3
          39.0      43.0
          40.0      25.2
          41.0     100.0
          42.0       2.8
          50.0       1.6
          51.0       4.1
          52.0      10.3
          62.0       1.7
          63.0       4.3
          64.0       9.8
          65.0       3.1
          66.0      17.9
          67.0      53.8
          68.0       2.7
    

parameter in TMS


  • 1H NMR 300 MHz
    C4 H5 N in TMS
    crotononitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.218 D(B) 6.533 D(C) 1.806 J(A,B) 16.0 J(A,C) -1.5 J(B,C) 6.7 REDDY,G.S. ET AL. J.AM.CHEM.SOC. 83, 1300 (1961)

         Hz     ppm     Int.
    

       1978.14   6.594     75
       1971.45   6.571    224
       1964.76   6.549    228
       1962.17   6.541     86
       1958.02   6.527     83
       1955.48   6.518    245
       1948.79   6.496    245
       1942.09   6.474     83
       1575.48   5.252    101
       1574.01   5.247    263
       1572.53   5.242    263
       1571.02   5.237    100
       1559.51   5.198     92
       1557.99   5.193    242
       1556.52   5.188    243
       1555.04   5.183     93
        545.90   1.820    999
        544.43   1.815   1000
        539.21   1.797    993
        537.74   1.792    988
    

in CDCl3



CCl4 solution



liquid film