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1878-65-5

3-Chlorophenylacetic acid

Product Name 3-Chlorophenylacetic acid

CAS1878-65-5

MFC8H7ClO2

MW170.59

More

  • 1878-65-5_ms
    Mass

    MS-NW-7166          
    m-chlorophenylacetic acid
    C8H7ClO2            (Mass of molecular ion:    170)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       1.4
          37.0       1.1
          38.0       2.3
          39.0       7.2
          43.0       1.6
          44.0       1.7
          44.5       2.7
          45.0       3.2
          50.0       3.7
          51.0       4.3
          61.0       1.9
          62.0       4.9
          62.5       2.7
          63.0      11.9
          64.0       2.5
          65.0       3.5
          73.0       3.5
          74.0       1.3
          75.0       2.5
          77.0       3.6
          79.0       1.0
          85.0       1.0
          86.0       1.3
          87.0       1.3
          89.0      22.1
          90.0       7.9
          91.0      51.6
          92.0       4.3
          99.0       6.3
         101.0       2.2
         107.0       2.6
         124.0       2.2
         125.0     100.0
         126.0      10.2
         127.0      32.7
         128.0       4.0
         152.0       2.7
         170.0      39.3
         171.0       3.9
         172.0      13.7
         173.0       1.5
    

400 MHz in CDCl3

90 MHz in CDCl3

  • 1878-65-5_1hnmr_2

    1H NMR 399.65 MHz
    C8 H7 Cl O2 0.053 g : 0.5 ml CDCl3
    m-chlorophenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 7.28 C 7.26 D 7.25 E 7.156 F 3.615 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

       2910.52   7.283    277
       2909.23   7.280    314
       2907.58   7.276    215
       2902.64   7.263    619
       2901.36   7.260    396
       2899.53   7.256    320
       2897.14   7.250    385
       2896.23   7.247    303
       2889.27   7.230     52
       2888.35   7.228     46
       2866.56   7.173     36
       2863.81   7.166    132
       2861.98   7.162    125
       2861.61   7.161    114
       2860.88   7.159    106
       2858.31   7.153    167
       2857.40   7.150    121
       2855.02   7.144     85
       2853.37   7.140     75
       1444.63   3.615   1000
    

  • 1878-65-5_1hnmr

    1H NMR 89.56 MHz
    C8 H7 Cl O2 0.046 g : 0.5 ml CDCl3
    m-chlorophenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.55 B 7.33 to 7.05 C 3.611

         Hz     ppm     Int.
    

       1033.85  11.544     87
        652.92   7.291    570
        651.04   7.270    262
        650.52   7.264    286
        648.90   7.246    468
        648.13   7.237    634
        647.45   7.230    512
        646.08   7.214    240
        644.37   7.195    301
        642.58   7.175    170
        640.61   7.153     97
        639.59   7.142    149
        637.54   7.119     83
        635.66   7.098     43
        634.29   7.083     42
        633.35   7.072     44
        323.51   3.613   1000
        317.70   3.548     30
        317.27   3.543     27
        316.76   3.537     28
    

in CDCl3

  • 1878-65-5_13cnmr

KBr disc

  • 1878-65-5_ir1_2

nujol mull

  • 1878-65-5_ir2

4880 A,200 M,powder

  • 1878-65-5_raman