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网站主页CAS数据库列表 19781-81-8更多图谱4-庚炔-2-醇(19781-81-8)质谱(MS)

4-庚炔-2-醇

产品名称 4-庚炔-2-醇

CAS号19781-81-8

分子式C7H12O

分子量112.17

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  • Mass

    MS-NW-2211          
    4-heptyn-2-ol
    C7H12O              (Mass of molecular ion:    112)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       3.1
          18.0       1.9
          19.0       3.7
          26.0       1.2
          27.0      13.2
          28.0       1.1
          29.0       4.4
          31.0       1.3
          38.0       2.2
          39.0      18.3
          40.0      16.1
          41.0      29.0
          42.0      10.5
          43.0      23.9
          44.0       1.7
          45.0      82.8
          46.0       1.8
          50.0       2.9
          51.0       5.6
          52.0       3.9
          53.0      41.1
          54.0       2.2
          55.0       3.5
          57.0       1.4
          62.0       1.3
          63.0       2.3
          65.0       4.5
          66.0       5.1
          67.0      79.7
          68.0     100.0
          69.0       8.2
          70.0       3.3
          77.0       3.6
          79.0       3.8
          82.0       1.2
          83.0       1.4
          94.0       1.1
          97.0       8.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H12 O 0.04 ml : 0.5 ml CDCl3
    4-heptyn-2-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.90 B 2.29 C 2.18 D 2.207 E 1.237 F 1.15

         Hz     ppm     Int.
    

        358.00   3.998     48
        352.63   3.938     60
        351.81   3.929     83
        346.44   3.869     79
        345.63   3.860     67
        340.25   3.800     51
        213.44   2.384     42
        212.13   2.369     63
        210.69   2.353    123
        209.88   2.344    142
        208.25   2.326    159
        206.88   2.310     69
        205.75   2.298    130
        205.38   2.294    128
        203.44   2.272    146
        202.13   2.257    140
        201.56   2.251    186
        199.44   2.227    152
        197.63   2.207    232
        194.56   2.173     95
        194.00   2.167    102
        192.31   2.148    120
        191.75   2.142    132
        190.75   2.130     43
        189.56   2.117     81
        186.63   2.084     42
        185.06   2.067     49
        184.44   2.060     49
        182.69   2.040     32
        113.94   1.273    950
        110.56   1.235     40
        107.75   1.204   1000
        105.38   1.177     62
        104.06   1.162     33
        103.94   1.161     33
        103.63   1.158     32
        101.38   1.132    870
        100.75   1.125    298
         97.75   1.092     34
         93.69   1.047    170
         93.06   1.040    117
    

in CDCl3



CCl4 solution



liquid film



4880 A,100M,liquid