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Indole-2-carboxylic acid

Product Name Indole-2-carboxylic acid

CAS1477-50-5

MFC9H7NO2

MW161.16

¹³CNMR

Mass

MS-NW-7650          
2-indolecarboxylic acid
C9H7NO2             (Mass of molecular ion:    161)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       1.0
      28.0       1.5
      37.0       1.9
      38.0       3.8
      39.0       9.0
      40.0       1.0
      44.0       1.0
      45.0       1.8
      50.0       4.5
      51.0       4.5
      52.0       2.0
      57.5       4.4
      58.0       2.8
      61.0       2.7
      62.0       9.6
      63.0      15.5
      64.0       4.1
      65.0       2.0
      71.5       5.6
      72.0       1.2
      74.0       1.4
      75.0       1.5
      76.0       1.6
      77.0       3.3
      78.0       1.0
      80.5       2.5
      85.0       1.0
      86.0       2.0
      87.0       4.2
      88.0      11.4
      89.0      28.0
      90.0       4.4
     104.0       1.0
     114.0      12.0
     115.0      88.3
     116.0      11.8
     117.0       2.5
     132.0       2.0
     142.0       1.2
     143.0     100.0
     144.0      12.3
     145.0       1.0
     160.0       1.5
     161.0      69.1
     162.0       7.4

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₇ N O₂	0.037 g : 0.5 ml DMSO-d₆
2-indolecarboxylic acid

    Assign.     Shift(ppm)

      A            13.0
      B            11.8
      C             7.669
      D             7.480
      E             7.261
      F             7.139
      G             7.081

     Hz     ppm     Int.

   5189.53  12.986    290
   4716.22  11.801    516
   3068.72   7.679    659
   3060.81   7.659    710
   2994.35   7.493    642
   2993.71   7.491    608
   2986.23   7.473    782
   2985.38   7.470    737
   2910.16   7.282    412
   2909.09   7.280    401
   2903.11   7.265    558
   2902.04   7.262    710
   2900.76   7.259    385
   2894.78   7.244    443
   2893.71   7.241    402
   2854.39   7.143    964
   2853.54   7.141    979
   2852.26   7.137   1000
   2851.61   7.136    850
   2837.72   7.101    498
   2836.87   7.099    481
   2830.89   7.084    522
   2829.82   7.081    789
   2828.96   7.079    510
   2822.77   7.064    417
   2821.91   7.061    372

¹H NMR	89.56 MHz
C₉ H₇ N O₂	0.043 g : 0.5 ml DMSO-d₆
2-indolecarboxylic acid

    Assign.     Shift(ppm)

      A     *1     13.
      B     *1     11.8
      C             7.661
      D             7.479
      E             7.25
      F             7.14
      G             7.10
     
     J(C,G)=7.6HZ
     J(D,E)=8.1HZ

     Hz     ppm     Int.

   1054.70  11.777    268
    690.77   7.713    284
    683.68   7.634    366
    683.17   7.629    384
    682.31   7.619    367
    678.47   7.576     67
    678.04   7.571     68
    675.99   7.548    210
    675.13   7.539    242
    674.54   7.532    233
    671.37   7.497     63
    667.87   7.458    425
    666.50   7.442    478
    658.22   7.350    260
    656.76   7.334    316
    654.03   7.303     68
    653.52   7.298     72
    651.46   7.275    496
    650.01   7.258    424
    648.65   7.243    167
    646.59   7.220     69
    645.83   7.212     66
    643.52   7.186    361
    640.95   7.157   1000
    640.10   7.148    786
    639.33   7.139    801
    638.90   7.134    813
    637.96   7.124    642
    634.20   7.082    284
    633.18   7.070    382
    631.81   7.055    387
    629.33   7.027    102
    628.48   7.018     87
    626.43   6.995    204
    625.06   6.980    174

in DMSO-d6

KBr disc

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