38350-87-7

对正庚基苯甲酸(38350-87-7)质谱(MS)

产品名称:对正庚基苯甲酸

CAS:38350-87-7

分子式:C14H20O2

分子量: 220.31

Mass

MS-IW-0826          
p-heptylbenzoic acid
C14H20O2            (Mass of molecular ion:    220)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.7
      27.0       1.4
      29.0       2.5
      39.0       1.4
      41.0       5.3
      43.0      20.8
      55.0       2.6
      56.0       1.3
      57.0       3.1
      65.0       1.3
      77.0       3.5
      79.0       2.2
      85.0       1.2
      89.0       1.5
      90.0       2.6
      91.0      30.1
      92.0      39.4
      93.0       3.3
     103.0       1.6
     105.0       6.6
     107.0       5.4
     117.0       1.2
     118.0       3.6
     119.0       3.8
     122.0       1.2
     123.0       2.3
     131.0       2.6
     133.0       1.9
     135.0      27.9
     136.0     100.0
     137.0       9.3
     138.0       1.2
     148.0       2.7
     149.0       4.1
     150.0       1.0
     151.0       3.8
     163.0       2.7
     164.0       1.1
     175.0       5.6
     176.0       1.2
     177.0       7.4
     178.0       2.8
     191.0       1.3
     203.0       1.3
     220.0      48.9
     221.0       8.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₂₀ O₂	0.036 g : 0.5 ml CDCl₃
p-heptylbenzoic acid

    Assign.     Shift(ppm)

      A            12.
      B             8.031
      C             7.274
      D             2.670
      E             1.630
      F             1.31
      G             1.27
      J             0.878

     Hz     ppm     Int.

   3214.02   8.043    546
   3212.37   8.038    202
   3207.43   8.026    197
   3205.60   8.022    598
   2911.43   7.285    509
   2903.01   7.264    499
   1074.82   2.690    233
   1067.31   2.671    311
   1059.44   2.651    258
    667.82   1.672     35
    666.36   1.668     31
    660.32   1.653    114
    652.81   1.634    164
    648.78   1.624    104
    646.94   1.619    111
    645.30   1.615    128
    638.15   1.597     47
    535.03   1.339    159
    531.37   1.330    277
    527.52   1.320    470
    525.32   1.315    376
    523.67   1.311    384
    520.93   1.304    405
    515.80   1.291    227
    513.05   1.284    292
    509.75   1.276    347
    508.10   1.272    373
    503.52   1.260    275
    495.83   1.241     79
    357.91   0.896    305
    350.95   0.879   1000
    343.99   0.861    379
    339.04   0.849     31

in CDCl3