3-METHYL-2-PHENYLVALERIC ACID

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

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