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网站主页CAS数据库列表 2568-33-4更多图谱异戊二醇(2568-33-4)核磁图(1HNMR)

异戊二醇

产品名称 异戊二醇

CAS号2568-33-4

分子式C5H12O2

分子量104.15


  • Mass

    MS-IW-9151          
    3-methyl-1,3-butanediol
    C5H12O2             (Mass of molecular ion:    104)
    

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

          15.0       3.6
          17.0       1.5
          18.0       6.9
          19.0       1.1
          26.0       1.7
          27.0      10.5
          28.0       9.0
          29.0      13.7
          30.0       4.4
          31.0      28.7
          38.0       1.8
          39.0      14.6
          40.0       5.0
          41.0      43.8
          42.0       5.4
          43.0     100.0
          44.0       3.7
          45.0       5.5
          50.0       1.5
          51.0       1.6
          53.0       7.1
          55.0       6.1
          56.0      14.5
          57.0       3.8
          58.0      16.5
          59.0      96.9
          60.0       3.5
          61.0       2.0
          67.0       6.4
          68.0       6.7
          69.0      11.3
          70.0       1.3
          71.0      22.6
          72.0       1.1
          73.0       3.1
          85.0       1.2
          86.0       3.7
          87.0       1.6
          89.0      14.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H12 O2 0.05 ml : 0.5 ml CDCl3
    3-methyl-1,3-butanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.38 B 4.15 C 3.848 D 1.720 E 1.265

         Hz     ppm     Int.
    

       1755.74   4.394     78
       1750.98   4.382    158
       1746.22   4.370     78
       1657.10   4.147    327
       1546.14   3.869     91
       1540.16   3.854    161
       1535.40   3.842    157
       1534.30   3.840    118
       1529.42   3.827     81
        693.36   1.735    183
        687.26   1.720    279
        681.27   1.705    167
        505.74   1.266   1000
    

in CDCl3



liquid film