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网站主页CAS数据库列表 94-46-2更多图谱苯甲酸异戊酯(94-46-2)核磁图(13CNMR)

苯甲酸异戊酯

产品名称 苯甲酸异戊酯

CAS号94-46-2

分子式C12H16O2

分子量192.25

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  • Mass

    MS-NW-8458          
    isopentyl benzoate
    C12H16O2            (Mass of molecular ion:    192)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          27.0       7.3
          28.0       2.1
          29.0       6.6
          39.0       5.7
          41.0      11.4
          42.0      12.4
          43.0      11.2
          45.0       1.0
          50.0       4.8
          51.0      18.2
          52.0       1.4
          53.0       1.3
          55.0      30.1
          56.0       1.9
          69.0       3.1
          70.0     100.0
          71.0       6.4
          74.0       1.1
          75.0       1.1
          76.0       2.8
          77.0      50.3
          78.0       4.3
          79.0       6.4
         105.0      94.8
         106.0       7.7
         122.0       6.5
         123.0      24.0
         124.0       1.9
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C12 H16 O2 0.04 ml : 0.5 ml CDCl3
    isopentyl benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.04 B 7.51 to 7.40 C 4.354 D 1.83 E 1.69 F 0.976

         Hz     ppm     Int.
    

        725.06   8.096    226
        723.44   8.078    234
        721.88   8.061    116
        720.94   8.050     92
        719.56   8.035     83
        718.81   8.027     54
        718.00   8.017    195
        717.50   8.012    186
        716.63   8.002    102
        715.31   7.987    300
        714.06   7.973     66
        677.19   7.562     74
        676.06   7.549    105
        672.38   7.508    168
        670.50   7.487    504
        669.50   7.476    199
        668.44   7.464    206
        666.69   7.445    102
        664.63   7.422    113
        663.63   7.410    162
        663.06   7.404    217
        662.56   7.398    207
        661.13   7.382     43
        658.88   7.357     42
        657.38   7.341     80
        654.19   7.305     50
        396.56   4.428    246
        390.00   4.355    395
        383.38   4.281    233
        162.50   1.815     39
        157.44   1.758    100
        156.19   1.744     82
        155.31   1.735     98
        154.25   1.723     67
        151.50   1.692    220
        148.75   1.661     96
        147.25   1.645     47
        145.81   1.629     78
        144.81   1.617    144
        139.06   1.553     56
        137.56   1.536     36
         90.19   1.008   1000
         84.31   0.942    879
    


  • 1H NMR 399.65 MHz
    C12 H16 O2 0.05 ml : 0.5 ml CDCl3
    isopentyl benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.046 B 7.521 C 7.418 D 4.349 E 1.790 F 1.657 G 0.969

         Hz     ppm     Int.
    

       3221.68   8.062     43
       3219.85   8.057    190
       3219.36   8.056    164
       3218.51   8.054    225
       3213.50   8.041     75
       3211.67   8.037    244
       3210.08   8.033    227
       3016.11   7.547     33
       3014.77   7.544     59
       3013.31   7.540     36
       3009.40   7.531     45
       3007.32   7.525    133
       3005.37   7.521     50
       3001.22   7.510     64
       2999.88   7.507    111
       2998.54   7.503     60
       2972.66   7.439     48
       2970.95   7.434    173
       2969.48   7.431     84
       2964.48   7.418    144
       2963.26   7.415    244
       2957.40   7.400     52
       2955.81   7.396    116
       2955.20   7.395     85
       1744.87   4.366    234
       1738.16   4.350    434
       1731.32   4.333    236
        729.74   1.826     31
        723.02   1.810     60
        716.19   1.793     74
        709.35   1.775     68
        702.76   1.759     42
        671.88   1.682    124
        665.04   1.665    308
        658.33   1.648    274
        651.49   1.631     87
        397.71   0.996     33
        397.22   0.994     35
        396.73   0.993     37
        390.75   0.978   1000
        383.91   0.961    967
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid