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2-Chlorobenzoic acid

Product Name 2-Chlorobenzoic acid

CAS118-91-2

MFC7H5ClO2

MW156.57

¹³CNMR

Mass

MS-NW-1839          
o-chlorobenzoic acid
C7H5ClO2            (Mass of molecular ion:    156)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.2
      27.0       1.3
      28.0       1.1
      37.0       4.0
      37.5       2.7
      38.0       6.5
      39.0       4.8
      45.0       3.5
      49.0       2.7
      50.0      19.7
      51.0      10.6
      53.0       1.2
      55.5       2.2
      61.0       1.6
      63.0       2.3
      64.0       3.1
      65.0       4.2
      69.5       2.7
      73.0       3.1
      74.0      10.3
      75.0      25.9
      76.0      15.4
      77.0       9.4
      84.0       1.8
      85.0       3.4
      87.0       1.2
      92.0       1.2
     110.0       1.3
     111.0      36.6
     112.0       4.0
     113.0      11.9
     114.0       1.3
     121.0       1.2
     128.0       2.9
     139.0     100.0
     140.0       7.8
     141.0      31.9
     142.0       2.5
     156.0      70.8
     157.0       5.6
     158.0      23.0
     159.0       1.8

400 MHz in DMSO-d6

90 MHz in DMSO-d6

in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Cl O₂	0.032 g : 0.5 ml DMSO-d₆
o-chlorobenzoic acid

    Assign.     Shift(ppm)

      A            13.43
      B             7.808
      C             7.56
      D             7.55
      E             7.447

     Hz     ppm     Int.

   5365.68  13.426     69
   3125.74   7.822    279
   3124.64   7.819    476
   3123.54   7.816    326
   3120.79   7.809     31
   3120.24   7.808     33
   3118.04   7.802    330
   3117.31   7.801    383
   3116.39   7.798    379
   3115.85   7.797    371
   3028.47   7.578     45
   3026.64   7.574    104
   3025.91   7.572    127
   3021.51   7.561   1000
   3020.42   7.558    985
   3018.58   7.554    655
   3018.03   7.552    612
   3015.65   7.546    617
   3014.19   7.543    515
   3010.89   7.534     30
   3007.59   7.526    134
   3006.13   7.522    127
   2988.36   7.478     55
   2983.23   7.465    348
   2981.22   7.460     68
   2980.30   7.458    317
   2977.37   7.450    254
   2975.54   7.446    337
   2974.62   7.444    271
   2972.98   7.439    302
   2970.78   7.434     34
   2969.31   7.430    229
   2966.93   7.424    218

¹H NMR	89.56 MHz
C₇ H₅ Cl O₂	0.043 g : 0.5 ml DMSO-d₆
o-chlorobenzoic acid

    Assign.     Shift(ppm)

      A            13.
      B             7.80
      C          7.67 to 7.10

     Hz     ppm     Int.

    704.88   7.871    146
    703.32   7.854    245
    700.98   7.827    167
    697.75   7.791    276
    696.19   7.774    249
    694.92   7.760    260
    692.19   7.729     95
    691.11   7.717     75
    689.06   7.694     63
    687.79   7.680     58
    687.11   7.673     58
    686.52   7.666     56
    685.25   7.652     61
    684.67   7.645     63
    683.69   7.634     71
    680.86   7.603    159
    679.69   7.590    232
    678.32   7.574    456
    675.20   7.540   1000
    672.75   7.512    736
    669.63   7.477    241
    668.16   7.461    258
    667.38   7.452    238
    665.72   7.434    324
    662.60   7.399    140
    661.72   7.389    180
    660.94   7.380    161
    656.84   7.335     84
    654.39   7.307     38

1HNMR (400 MHz, CDCl3): δ 8.09(d, J = 7.44 Hz, 1H), 7.50 (m, 1H), 7.40(m, 1H), 7.31(m, 1H)

in CDCl3

in DMSO-d6

13CNMR (100MHz, CDCl3) δ 171.09, 134.83, 133.65, 132.54, 131.56, 128.46, 126.75.

CCl4 solution

KBr disc

nujol mull

4880 A,100M,powder

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