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网站主页CAS数据库列表 4521-22-6更多图谱4-对甲苯基丁酸(4521-22-6)质谱(MS)

4-对甲苯基丁酸

产品名称 4-对甲苯基丁酸

CAS号4521-22-6

分子式C11H14O2

分子量178.23

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  • Mass

    MS-KW-0203          
    4-(p-tolyl)butyric acid
    C11H14O2            (Mass of molecular ion:    178)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       2.6
          27.0       2.5
          28.0       1.3
          39.0       3.5
          41.0       1.7
          51.0       3.3
          52.0       1.1
          53.0       1.4
          63.0       2.0
          64.0       1.3
          65.0       3.4
          77.0       8.7
          78.0       3.3
          79.0       6.5
          89.0       1.2
          91.0       6.7
          92.0       2.0
         102.0       1.0
         103.0       5.9
         104.0       7.5
         105.0      59.0
         106.0       5.8
         115.0       3.8
         116.0       2.1
         117.0      16.3
         118.0     100.0
         119.0      14.9
         131.0       1.8
         132.0       7.5
         145.0       2.2
         160.0       7.7
         161.0       1.6
         178.0      24.5
         179.0       3.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C11 H14 O2 0.040 g : 0.5 ml CDCl3
    4-(p-tolyl)butyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.5 B *1 7.084 C *1 7.068 D 2.622 E 2.355 F 2.307 G 1.935

         Hz     ppm     Int.
    

       2837.98   7.102    114
       2836.33   7.098     67
       2832.12   7.087    121
       2829.74   7.081    501
       2825.89   7.071    551
       2823.33   7.065    103
       2819.67   7.056     60
       2817.47   7.050    114
       1055.59   2.642    159
       1048.08   2.623    238
       1040.39   2.604    172
        948.62   2.374    181
        941.29   2.356    340
        937.63   2.347     38
        933.78   2.337    217
        922.24   2.308   1000
        788.53   1.974     59
        781.02   1.955    173
        773.51   1.936    217
        766.00   1.917    149
        758.49   1.898     44
    

in CDCl3



KBr disk



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