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网站主页CAS数据库列表 16529-66-1更多图谱3-戊烯腈(16529-66-1)核磁图(13CNMR)

3-戊烯腈

产品名称 3-戊烯腈

CAS号16529-66-1

分子式C5H7N

分子量81.12


  • Mass

    MS-IW-9171          
    trans-3-pentenenitrile
    C5H7N               (Mass of molecular ion:     81)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.2
          26.0       7.7
          27.0      18.5
          28.0      23.2
          29.0       3.1
          37.0       4.4
          38.0       8.2
          38.5       1.4
          39.0      45.7
          40.0       4.5
          41.0      85.5
          42.0       3.5
          49.0       1.8
          50.0       6.6
          51.0       9.3
          52.0      13.1
          53.0      27.1
          54.0     100.0
          55.0       6.0
          64.0       2.5
          66.0       9.0
          75.0       1.7
          76.0       1.3
          80.0      11.0
          81.0      41.4
          82.0       3.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H7 N 0.05 ml : 0.5 ml CDCl3
    trans-3-pentenenitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.829 B 5.375 C 3.058 D 1.729

         Hz     ppm     Int.
    

       2347.90   5.875     61
       2343.02   5.863     98
       2341.31   5.859    179
       2339.60   5.855    100
       2336.43   5.847    101
       2334.72   5.842    192
       2333.01   5.838    122
       2330.93   5.833     51
       2329.96   5.831     49
       2327.76   5.825    133
       2326.05   5.821    214
       2324.34   5.816    117
       2321.17   5.809    113
       2319.58   5.805    207
       2317.87   5.800    116
       2312.99   5.788     74
       2161.87   5.410    114
       2160.03   5.405    116
       2157.96   5.400     97
       2156.25   5.396    213
       2154.42   5.391    211
       2152.71   5.387     96
       2150.51   5.381    113
       2148.80   5.377    119
       2146.61   5.372    104
       2144.90   5.367     96
       2142.70   5.362     83
       2140.99   5.358    181
       2139.28   5.353    179
       2137.45   5.349     80
       2135.38   5.344     94
       2133.54   5.339     93
       1228.27   3.074    192
       1226.81   3.070    518
       1225.10   3.066    680
       1223.51   3.062    510
       1222.78   3.060    262
       1221.92   3.058    251
       1221.07   3.056    494
       1219.48   3.052    646
       1217.90   3.048    470
       1216.31   3.044    171
        696.53   1.743    515
        694.95   1.739   1000
        693.24   1.735    955
        691.65   1.731    453
        689.94   1.727    456
        688.35   1.723    922
        686.65   1.719    887
        685.06   1.715    416
    

in CDCl3