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网站主页CAS数据库列表 18720-65-5更多图谱5-甲基-3-庚醇(18720-65-5)质谱(MS)

5-甲基-3-庚醇

产品名称 5-甲基-3-庚醇

CAS号18720-65-5

分子式C8H18O

分子量130.23

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  • Mass

    MS-IW-8659          
    5-methyl-3-heptanol
    C8H18O              (Mass of molecular ion:    130)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.6
          27.0       6.3
          28.0       2.2
          29.0      15.8
          31.0      15.4
          39.0       5.3
          41.0      31.3
          42.0       4.2
          43.0      12.9
          44.0       1.5
          45.0      16.0
          53.0       1.8
          55.0      39.7
          56.0      20.2
          57.0      60.9
          58.0       9.5
          59.0     100.0
          60.0       3.9
          67.0       1.0
          69.0       4.4
          70.0      10.8
          71.0       6.8
          72.0       1.3
          73.0       1.0
          83.0      91.3
          84.0       9.0
          85.0       1.4
          97.0       1.4
         101.0      35.1
         102.0       2.4
         112.0       8.4
         113.0       1.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H18 O 0.05 ml : 0.5 ml CDCl3
    5-methyl-3-heptanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.603 B 2.03 C 1.56 D *1 1.43 E *1 1.30 F *1 1.17 G 0.940 J 0.89 K 0.88 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       1447.14   3.622     71
       1445.68   3.618     57
       1442.14   3.609    118
       1437.87   3.598     78
       1434.57   3.590     88
        813.35   2.036    407
        627.93   1.572     49
        620.73   1.554     65
        617.55   1.546     60
        613.28   1.535     75
        609.99   1.527     73
        609.25   1.525     68
        606.81   1.519     75
        605.71   1.516     61
        603.76   1.511     78
        602.54   1.508     68
        601.56   1.506     69
        600.46   1.503     67
        599.24   1.500     85
        596.19   1.492     89
        595.21   1.490     85
        592.77   1.484    111
        591.80   1.481     89
        587.65   1.471    181
        585.33   1.465    147
        580.20   1.452    234
        577.64   1.446    114
        572.75   1.434    229
        570.56   1.428    149
        567.99   1.422     88
        566.65   1.418    102
        565.55   1.416    116
        563.11   1.410    188
        558.47   1.398    117
        556.76   1.394    154
        551.76   1.381    116
        549.44   1.375    120
        544.43   1.363    102
        541.87   1.356     49
        538.70   1.348     52
        531.13   1.329     82
        526.12   1.317    107
        523.56   1.311     73
        519.53   1.300     86
        518.19   1.297    125
        511.72   1.281     82
        497.92   1.246     54
        490.48   1.228     65
        483.15   1.209     98
        477.78   1.196    110
        475.71   1.191    102
        474.61   1.188     89
        469.60   1.176     87
        468.26   1.172     92
        464.11   1.162    128
        460.69   1.153     66
        455.93   1.141     83
        454.35   1.137     68
        450.81   1.129     75
        448.85   1.124     57
        448.49   1.123     57
        442.50   1.108     60
        383.30   0.960    597
        375.85   0.941   1000
        368.41   0.922    519
        362.06   0.906    829
        358.40   0.897    733
        356.57   0.893    486
        355.47   0.890    743
        354.00   0.886    758
        351.81   0.881    683
        349.24   0.874    661
        346.44   0.867    340
        341.80   0.856    275
    

in CDCl3



liquid film