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网站主页CAS数据库列表 1501-05-9更多图谱4-苯甲酰基丁酸(1501-05-9)核磁图(13CNMR)

4-苯甲酰基丁酸

产品名称 4-苯甲酰基丁酸

CAS号1501-05-9

分子式C11H12O3

分子量192.21

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  • Mass

    MS-NW-6325          
    4-benzoylbutyric acid
    C11H12O3            (Mass of molecular ion:    192)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          27.0       4.6
          39.0       4.0
          41.0       3.0
          42.0       2.0
          43.0       1.6
          45.0       2.9
          50.0       4.9
          51.0      15.7
          52.0       1.3
          55.0       3.7
          63.0       1.0
          65.0       1.0
          74.0       1.5
          75.0       1.2
          76.0       2.3
          77.0      45.2
          78.0       4.7
          91.0       1.4
         104.0       1.1
         105.0     100.0
         106.0       7.9
         120.0      10.0
         121.0       1.1
         131.0       1.1
         132.0       2.4
         133.0       1.6
         146.0       3.0
         174.0       3.7
         192.0      10.6
         193.0       1.4
    

90 MHz in CDCl3

in DMSO-d6


  • 1H NMR 89.56 MHz
    C11 H12 O3 0.048 g : 0.5 ml CDCl3
    4-benzoylbutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.0 B 7.96 C 7.65 to 7.30 D 3.073 E 2.50 F 2.098

         Hz     ppm     Int.
    

        979.68  10.939     68
        720.76   8.048     72
        720.34   8.044     73
        717.77   8.015    349
        716.24   7.998    447
        714.70   7.981    297
        710.51   7.934    477
        708.29   7.909    563
        685.82   7.658     52
        684.36   7.642     62
        678.13   7.572    214
        673.08   7.516   1000
        665.91   7.436    468
        663.00   7.403    132
        662.32   7.396    121
        660.52   7.376    131
        657.28   7.339     80
        282.92   3.160    349
        280.02   3.127    100
        279.59   3.122    104
        275.83   3.080    793
        271.56   3.033    118
        268.99   3.004    489
        232.42   2.596    191
        231.40   2.584    213
        229.09   2.558     93
        224.48   2.507    650
        221.31   2.472    137
        218.15   2.436    500
        217.98   2.434    500
        213.88   2.389     66
        210.46   2.350     51
        200.29   2.237    129
        199.27   2.225    136
        196.96   2.200     73
        193.12   2.157    370
        189.70   2.119    120
        186.45   2.082    441
        182.09   2.034     99
        179.44   2.004    240
        173.12   1.934     56
    



in CDCl3

in DMSO-d6





KBr disc



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