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网站主页CAS数据库列表 7782-37-8更多图谱3-甲基-2-苯戊酸(7782-37-8)核磁图(13CNMR)

3-甲基-2-苯戊酸

产品名称 3-甲基-2-苯戊酸

CAS号7782-37-8

分子式C12H16O2

分子量192.25


  • Mass

    MS-NW-9500          
    3-methyl-2-phenylvaleric acid
    C12H16O2            (Mass of molecular ion:    192)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.1
          27.0       2.1
          29.0       7.5
          39.0       3.4
          41.0       9.6
          51.0       2.6
          55.0       1.0
          57.0      10.9
          63.0       1.7
          65.0       2.9
          77.0       4.6
          78.0       1.4
          79.0       3.5
          89.0       2.4
          90.0       6.2
          91.0      37.3
          92.0       4.8
         103.0       1.4
         105.0       4.8
         107.0       1.9
         115.0       4.5
         116.0       1.9
         117.0       6.7
         118.0      34.7
         119.0       3.3
         131.0       1.7
         136.0     100.0
         137.0       9.2
         144.0       8.2
         145.0       1.7
         173.0       5.4
         174.0       1.0
         192.0       2.9
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H16 O2 0.031 g : 0.5 ml CDCl3
    3-methyl-2-phenylvaleric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 7.33 to 7.26 C 3.250 D 2.14 E *1 1.603 F *1 1.22 G *2 1.043 J *3 0.944 K *1 0.88 L *3 0.768 M *2 0.662 assigned by C-H COSY. optical isomers J(E,D)=3.3 Hz J(E,F)=-13.0 Hz J(E,J)=7.5 Hz

         Hz     ppm     Int.
    

       2937.07   7.350    108
       2935.06   7.345    164
       2934.14   7.342    148
       2931.95   7.337    171
       2928.65   7.329    457
       2926.82   7.324    771
       2925.54   7.321   1000
       2924.44   7.318    676
       2922.06   7.312    236
       2919.67   7.306    456
       2918.94   7.304    740
       2918.03   7.302    593
       2916.01   7.297    179
       2913.08   7.290    164
       2911.98   7.287    238
       2911.07   7.285    295
       2910.33   7.283    204
       2907.58   7.276    191
       2907.04   7.274    210
       2905.57   7.271    256
       2905.02   7.269    245
       2903.56   7.266    141
       2902.27   7.263    171
       2899.34   7.255    209
       2898.61   7.253    236
       2895.68   7.246     63
       2894.95   7.244     70
       2893.85   7.241     80
       2892.02   7.237    316
       2890.55   7.233     53
       2890.00   7.232     50
       1305.24   3.266    243
       1304.15   3.264    283
       1293.70   3.238    314
        869.86   2.177     46
        869.13   2.175     46
        865.83   2.167     60
        864.55   2.164     64
        862.90   2.160     81
        861.07   2.155     74
        859.23   2.150     87
        857.95   2.147     84
        856.30   2.143     84
        853.92   2.137     96
        852.82   2.134     80
        851.54   2.131     70
        850.44   2.128     81
        848.43   2.123     63
        847.33   2.121     66
        846.23   2.118     56
        843.66   2.111     53
        839.64   2.101     32
        654.09   1.637     42
        650.79   1.629     44
        646.58   1.618     52
        643.28   1.610     54
        640.72   1.604     60
        637.24   1.595     56
        633.21   1.585     57
        629.91   1.577     52
        503.71   1.261     58
        502.43   1.258     35
        497.85   1.246     65
        496.38   1.243     82
        494.73   1.238     94
        490.34   1.227     98
        489.05   1.224     81
        487.41   1.220    109
        484.29   1.212     70
        482.83   1.209     95
        481.36   1.205    102
        476.97   1.194     63
        475.68   1.191     56
        474.03   1.187     91
        466.89   1.169     36
        420.37   1.052    747
        413.96   1.036    730
        404.98   1.014     33
        384.65   0.963    446
        377.32   0.945    961
        370.00   0.926    395
        364.32   0.912     41
        363.04   0.909     50
        361.57   0.905     75
        359.92   0.901     54
        356.99   0.894     39
        355.16   0.889     71
        352.60   0.883     64
        350.40   0.877     37
        348.02   0.871     79
        346.18   0.867     58
        341.42   0.855     46
        339.04   0.849     50
        313.76   0.786    366
        306.44   0.767    659
        299.11   0.749    238
        268.16   0.671    858
        261.38   0.655    860
    

in CDCl3



KBr disc



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