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网站主页CAS数据库列表 54630-50-1更多图谱5-甲基-2-庚醇(54630-50-1)质谱(MS)

5-甲基-2-庚醇

产品名称 5-甲基-2-庚醇

CAS号54630-50-1

分子式C8H18O

分子量130.23


  • Mass

    MS-IW-9046          
    5-methyl-2-heptanol
    C8H18O              (Mass of molecular ion:    130)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       3.3
          27.0       9.5
          28.0       1.9
          29.0      16.9
          31.0       1.7
          39.0       7.8
          40.0       1.2
          41.0      32.5
          42.0       5.4
          43.0      18.4
          44.0       6.2
          45.0     100.0
          46.0       2.3
          53.0       2.5
          54.0       1.6
          55.0      52.0
          56.0      31.6
          57.0      31.3
          58.0       2.4
          59.0       2.0
          67.0       1.7
          69.0      12.7
          70.0      33.0
          71.0       6.9
          83.0      17.0
          84.0      12.5
          85.0       7.0
          86.0       1.8
          97.0      10.1
         112.0      10.0
         113.0       1.2
         115.0       3.4
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H18 O 0.05 ml : 0.5 ml CDCl3
    5-methyl-2-heptanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.755 B 2.12 C *1 1.50 D *2 1.40 E *3 1.35 F *1 1.32 G *2 1.26 J 1.183 K *3 1.15 L 0.87 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       1509.89   3.779     49
       1508.18   3.774     47
       1503.66   3.763     84
       1503.05   3.761     84
       1502.08   3.759     84
       1497.56   3.748     88
       1495.85   3.743     85
       1491.46   3.732     56
       1489.75   3.728     46
        846.92   2.120    148
        578.98   1.449    128
        574.58   1.438    185
        574.22   1.437    184
        573.00   1.434    262
        570.31   1.428    157
        569.34   1.425    166
        568.48   1.423    141
        539.18   1.350    145
        537.96   1.347    123
        536.50   1.343    126
        535.28   1.340    132
        534.06   1.337    145
        532.84   1.334    125
        531.86   1.331    133
        529.30   1.325    128
        527.47   1.320    134
        526.73   1.318    138
        522.58   1.308    119
        521.85   1.306    122
        476.32   1.192   1000
        475.34   1.190    969
        472.90   1.184    140
        470.09   1.177    972
        469.12   1.174    925
        466.06   1.167    131
        458.74   1.148    120
        353.52   0.885    479
        349.98   0.876    713
        348.27   0.872    644
        346.68   0.868    933
        345.95   0.866    867
        343.38   0.860    695
        341.67   0.855    524
        339.23   0.849    448
        338.87   0.848    447
    

in CDCl3



liquid film