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2-Chloro-4,5-difluorobenzoic acid

Product Name 2-Chloro-4,5-difluorobenzoic acid

CAS110877-64-0

MFC7H3ClF2O2

MW192.55

¹³CNMR

Mass

MS-IW-9090          
2-chloro-4,5-difluorobenzoic acid
C7H3ClF2O2          (Mass of molecular ion:    192)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      28.0       3.5
      31.0       5.8
      36.0       1.4
      37.0       2.9
      38.0       1.0
      44.0       1.2
      45.0       5.3
      49.0       1.1
      50.0       3.3
      51.0       2.0
      56.0       2.6
      57.0       1.5
      61.0       7.3
      62.0      12.7
      63.0       5.1
      68.0       4.4
      73.0       2.2
      73.5       1.5
      74.0       3.3
      75.0       3.4
      79.0       1.0
      80.0       2.0
      81.0       6.6
      82.0       2.4
      87.5       2.8
      91.0       1.5
      92.0       4.1
      93.0       4.0
      96.0       1.8
      97.0      12.0
      98.0       1.3
      99.0       4.9
     100.0       2.9
     101.0       4.8
     102.0       1.0
     111.0       3.1
     112.0      21.3
     113.0       8.1
     128.0       1.2
     146.0       1.6
     147.0      38.9
     148.0       4.8
     149.0      12.5
     150.0       1.4
     157.0       1.6
     164.0       2.4
     175.0     100.0
     176.0       7.8
     177.0      32.3
     178.0       2.5
     192.0      80.9
     193.0       6.4
     194.0      26.3
     195.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₃ Cl F₂ O₂	saturated in CDCl₃
2-chloro-4,5-difluorobenzoic acid

    Assign.     Shift(ppm)

      A            12.0
      B             7.933
      C             7.357

     Hz     ppm     Int.

   4795.66  12.000     76
   3179.95   7.957    920
   3171.53   7.936    978
   3169.51   7.931    961
   3161.09   7.910    903
   2948.61   7.378    929
   2944.77   7.369     91
   2941.65   7.361   1000
   2938.72   7.354    958
   2935.24   7.345     86
   2931.95   7.337    942

in CDCl3

KBr disc

nujol mull

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