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苯甲酸二級丁酯

产品名称 苯甲酸二級丁酯

CAS号3306-36-3

分子式C11H14O2

分子量178.23

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  • Mass

    MS-NW-5797          
    sec-butyl benzoate
    C11H14O2            (Mass of molecular ion:    178)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       4.3
          28.0       1.0
          29.0       8.9
          39.0       3.1
          41.0       9.5
          43.0       1.0
          50.0       3.5
          51.0      11.2
          55.0       2.0
          56.0      19.6
          57.0       6.0
          73.0       8.4
          76.0       1.7
          77.0      31.2
          78.0       2.7
          79.0       3.6
         105.0     100.0
         106.0       8.2
         122.0       3.2
         123.0      46.3
         124.0       3.6
         149.0       2.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C11 H14 O2 0.04 ml : 0.5 ml CDCl3
    sec-butyl benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.04 B 7.51 C 7.42 D 5.099 E 1.87 to 1.54 F 1.334 G 0.980

         Hz     ppm     Int.
    

        725.81   8.105    195
        724.19   8.087    203
        722.50   8.068    100
        721.63   8.058     75
        720.31   8.043     69
        718.75   8.026    163
        718.31   8.021    146
        717.38   8.011     72
        716.00   7.995    245
        714.75   7.981     48
        676.88   7.558     63
        675.69   7.545     82
        672.88   7.514     98
        672.13   7.505    142
        670.19   7.484    399
        669.38   7.475    154
        668.31   7.463    147
        667.81   7.457    121
        666.69   7.445     86
        664.56   7.421     93
        663.69   7.411    123
        663.00   7.403    167
        662.50   7.398    164
        660.94   7.380     30
        658.94   7.358     34
        657.38   7.341     69
        654.06   7.304     37
        466.31   5.207     56
        460.13   5.138    109
        453.88   5.068    111
        447.69   4.999     61
        162.69   1.817     34
        161.06   1.799     72
        159.81   1.785     43
        158.81   1.774     72
        156.00   1.742     34
        154.56   1.726     94
        153.25   1.712    121
        152.81   1.707    117
        151.69   1.694     91
        148.56   1.659     34
        146.75   1.639    118
        145.75   1.628    120
        145.06   1.620     61
        139.44   1.557     75
        122.56   1.369   1000
        120.44   1.345     32
        116.31   1.299    953
         94.13   1.052    261
         87.00   0.972    467
         79.44   0.888    147
         78.44   0.876     83
    

in CDCl3



liquid film



4880 A,200 M,liquid



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