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2-(4-Chlorobenzoyl)benzoic acid

Product Name 2-(4-Chlorobenzoyl)benzoic acid

CAS85-56-3

MFC14H9ClO3

MW260.67

Mass

MS-NW-7931          
o-(p-chlorobenzoyl)benzoic acid
C14H9ClO3           (Mass of molecular ion:    260)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.2
      28.0       1.1
      39.0       6.4
      44.0       4.6
      50.0      10.0
      51.0       8.9
      53.0       1.5
      63.0       2.3
      65.0      13.5
      74.0       4.8
      75.0      20.6
      75.5       1.1
      76.0      12.4
      77.0       8.6
      85.0       1.9
      93.0       8.9
      94.0       1.3
     104.0       7.8
     105.0      15.8
     106.0       1.3
     110.0       1.2
     111.0      36.0
     112.0       5.7
     113.0      12.2
     114.0       1.8
     121.0       6.3
     139.0     100.0
     140.0       8.1
     141.0      32.1
     142.0       2.6
     149.0      58.2
     150.0       7.2
     151.0       4.2
     152.0       9.8
     153.0       3.2
     181.0      62.1
     182.0       9.1
     186.0       1.0
     214.0       1.2
     215.0       4.0
     216.0       8.6
     217.0       2.2
     218.0       2.8
     243.0       2.8
     260.0      33.9
     261.0       5.5
     262.0      11.4
     263.0       1.9

400 MHz in DMSO-d6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₉ Cl O₃	0.042 g : 0.5 ml DMSO-d₆
o-(p-chlorobenzoyl)benzoic acid

    Assign.     Shift(ppm)

      A            13.3
      B             8.021
      C             7.747
      D             7.679
      E             7.635
      F             7.575
      G             7.454

     Hz     ppm     Int.

   3209.63   8.032    291
   3202.12   8.013    323
   3105.77   7.772    158
   3104.49   7.769    176
   3098.26   7.753    418
   3096.98   7.750    426
   3090.75   7.734    319
   3089.47   7.731    300
   3076.65   7.699    299
   3075.18   7.695    339
   3072.80   7.689     41
   3071.34   7.686     41
   3068.95   7.680    427
   3067.67   7.676    453
   3061.44   7.661    218
   3059.98   7.657    251
   3057.23   7.650    484
   3048.62   7.629    907
   3030.49   7.583   1000
   3021.88   7.562    533
   2983.05   7.465    354
   2982.32   7.463    367
   2975.72   7.446    323
   2974.81   7.444    320

¹H NMR	399.65 MHz
C₁₄ H₉ Cl O₃	0.035 g : 0.5 ml CDCl₃
o-(p-chlorobenzoyl)benzoic acid

    Assign.     Shift(ppm)

      A            11.
      B             8.074
      C             7.667
      D             7.636
      E             7.573
      F             7.376
      G             7.350

     Hz     ppm     Int.

   3231.42   8.086    276
   3230.87   8.085    281
   3223.73   8.067    296
   3223.00   8.065    294
   3082.14   7.713     31
   3081.41   7.711     32
   3073.53   7.691    176
   3072.25   7.688    188
   3066.02   7.672    407
   3064.74   7.669    408
   3058.51   7.653    429
   3056.32   7.648    840
   3054.30   7.643    348
   3049.54   7.631    359
   3047.52   7.626    923
   3045.33   7.620    206
   3040.20   7.608     48
   3038.55   7.604     58
   3034.15   7.593    238
   3032.87   7.589    250
   3026.28   7.573    331
   3025.18   7.570    340
   3018.77   7.554    160
   3017.48   7.551    154
   3014.92   7.544     35
   2954.29   7.393    231
   2952.09   7.387   1000
   2950.08   7.382    375
   2945.13   7.370    357
   2943.30   7.365    914
   2940.92   7.359    497
   2940.01   7.357    425
   2933.23   7.340    347
   2932.50   7.338    336

KBr disc

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