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网站主页CAS数据库列表 60415-61-4更多图谱丁酸2-戊酯(60415-61-4)核磁图(1HNMR)

丁酸2-戊酯

产品名称 丁酸2-戊酯

CAS号60415-61-4

分子式C9H18O2

分子量158.24

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  • Mass

    MS-IW-3564          
    1-methylbutyl butyrate
    C9H18O2             (Mass of molecular ion:    158)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       7.2
          28.0       1.0
          29.0       4.7
          39.0       4.0
          41.0      10.9
          42.0       8.5
          43.0      53.0
          44.0       2.0
          45.0       4.2
          55.0      12.7
          60.0       4.9
          69.0       1.7
          70.0      25.8
          71.0     100.0
          72.0       5.3
          73.0       2.9
          87.0       4.0
          88.0       8.7
          89.0      16.0
         114.0       2.0
         115.0      12.6
         143.0       1.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H18 O2 0.05 ml : 0.5 ml CDCl3
    1-methylbutyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.928 B 2.252 C 1.651 D *1 1.576 E *1 1.45 F *2 1.36 G *2 1.32 J 1.200 K 0.948 L 0.913 ASSIGNED BY C-H AND H-H COSY.

         Hz     ppm     Int.
    

       1979.00   4.952     68
       1977.91   4.950     34
       1973.75   4.939     72
       1972.66   4.936     97
       1971.56   4.934     84
       1967.53   4.924     73
       1966.31   4.921     99
       1965.33   4.918     88
       1961.18   4.908     31
       1959.96   4.905     73
        907.96   2.272    346
        900.63   2.254    618
        898.56   2.249     76
        893.07   2.235    422
        678.47   1.698     57
        671.02   1.680    225
        663.57   1.661    371
        656.13   1.642    364
        648.80   1.624    223
        644.29   1.613     43
        641.48   1.606     73
        640.14   1.602     38
        636.47   1.593     85
        634.64   1.588     53
        632.45   1.583     32
        631.10   1.580     73
        628.91   1.574     64
        626.59   1.568     86
        623.78   1.561     69
        621.58   1.556     69
        619.02   1.549     71
        614.14   1.537     48
        596.19   1.492     49
        590.82   1.479     60
        589.84   1.476     69
        586.79   1.469     74
        584.47   1.463     69
        582.76   1.459     40
        581.54   1.456     87
        580.57   1.453     97
        577.39   1.445     32
        576.42   1.443     42
        575.32   1.440     97
        573.61   1.436     53
        568.48   1.423     57
        567.38   1.420     67
        562.87   1.409     63
        562.13   1.407     45
        558.59   1.398     39
        557.98   1.397     39
        556.40   1.393     35
        552.86   1.384     33
        550.78   1.379     80
        549.32   1.375     45
        545.53   1.366     70
        543.58   1.361     85
        541.75   1.356     82
        541.14   1.355     73
        538.21   1.347     67
        536.13   1.342     81
        534.30   1.337    119
        531.74   1.331     63
        528.56   1.323     82
        528.08   1.322     79
        527.22   1.320     63
        525.39   1.315     61
        524.66   1.313     61
        521.24   1.305     49
        518.43   1.298     58
        511.23   1.280     35
        482.91   1.209   1000
        476.68   1.193    961
        386.35   0.967    578
        378.91   0.949    962
        372.07   0.931    590
        371.46   0.930    624
        364.87   0.913    846
        362.18   0.907     85
        357.67   0.895    367
        355.22   0.889     58
    

in CDCl3



liquid film