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网站主页CAS数据库列表 16529-56-9更多图谱2-甲基-3-丁烯腈(16529-56-9)核磁图(1HNMR)

2-甲基-3-丁烯腈

产品名称 2-甲基-3-丁烯腈

CAS号16529-56-9

分子式C5H7N

分子量81.12

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  • Mass

    MS-IW-9170          
    2-methyl-3-butenenitrile
    C5H7N               (Mass of molecular ion:     81)
    

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

          15.0       2.2
          26.0      10.5
          27.0      29.0
          28.0      30.6
          29.0       4.5
          37.0       6.4
          38.0       9.5
          39.0      51.4
          40.0       6.6
          41.0      77.9
          42.0       6.2
          49.0       1.9
          50.0       6.2
          51.0       9.6
          52.0      14.7
          53.0      28.6
          54.0     100.0
          55.0       9.6
          63.0       1.7
          64.0       5.9
          65.0       2.6
          66.0      43.0
          67.0       2.2
          75.0       1.1
          79.0       1.3
          80.0      19.5
          81.0      45.7
          82.0       3.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H7 N 0.05 ml : 0.5 ml CDCl3
    2-methyl-3-butenenitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.768 B 5.424 C 5.261 D 3.355 E 1.417

         Hz     ppm     Int.
    

       2322.63   5.812     96
       2317.02   5.798     96
       2312.50   5.787    105
       2306.88   5.773    111
       2305.54   5.769    125
       2300.05   5.756    121
       2295.41   5.744    128
       2289.92   5.730    130
       2176.15   5.446    193
       2174.80   5.442    185
       2174.44   5.441    184
       2159.06   5.403    149
       2157.71   5.399    150
       2108.03   5.275    178
       2106.93   5.272    178
       2097.90   5.250    161
       2096.80   5.247    160
       1354.49   3.390     31
       1348.88   3.376     75
       1347.29   3.372    100
       1345.70   3.368     55
       1343.26   3.362     56
       1341.67   3.358    128
       1340.09   3.354    126
       1338.50   3.350     56
       1336.06   3.344     53
       1334.47   3.340    100
       1332.89   3.336     74
       1327.27   3.322     31
        570.31   1.428   1000
        562.99   1.409    962
    

in CDCl3