2168-06-1

3,3,3-三对氯苯丙酸(2168-06-1)核磁图(¹HNMR)

产品名称:3,3,3-三对氯苯丙酸

CAS:2168-06-1

分子式:C21H15Cl3O2

分子量: 405.7

Mass

MS-IW-0033          
3,3,3-tris(p-chlorophenyl)propionic acid
C21H15Cl3O2         (Mass of molecular ion:    404)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      75.0       1.1
     101.0       1.2
     102.0       1.0
     118.5       1.0
     119.0       1.4
     119.5       2.7
     120.0       1.2
     137.0       1.8
     139.0       1.6
     163.0       1.1
     176.0       1.6
     178.0       1.5
     199.0       1.4
     212.0       1.6
     233.0       8.5
     234.0       1.3
     235.0       6.0
     236.0       1.1
     237.0       2.3
     239.0       7.9
     240.0       3.3
     251.0       1.6
     252.0       1.5
     253.0       1.5
     273.0       1.6
     275.0       9.7
     276.0       2.2
     277.0       3.3
     288.0       1.3
     309.0       3.5
     310.0       2.4
     311.0       3.5
     312.0       1.7
     313.0       1.1
     345.0     100.0
     346.0      21.2
     347.0      98.6
     348.0      20.4
     349.0      32.7
     350.0       6.6
     351.0       4.1
     358.0       2.4
     360.0       2.4
     404.0      10.9
     405.0       2.9
     406.0      10.9
     407.0       2.6
     408.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₁₅ Cl₃ O₂	0.032 g : 0.5 ml CDCl₃
3,3,3-tris(p-chlorophenyl)propionic acid

    Assign.     Shift(ppm)

      A             7.233
      B             7.079
      C             3.618

     Hz     ppm     Int.

   2905.64   7.271     28
   2903.20   7.265     43
   2898.07   7.252    241
   2895.39   7.245    836
   2893.31   7.240    291
   2888.67   7.229    332
   2886.60   7.223   1000
   2883.79   7.216    154
   2876.83   7.199     22
   2850.59   7.133     23
   2843.51   7.116     29
   2841.67   7.111     39
   2835.94   7.097    169
   2833.13   7.090    989
   2831.05   7.084    307
   2826.42   7.073    285
   2824.34   7.068    714
   2821.53   7.061    107
   1446.17   3.619    491

in CDCl3