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399-76-8

5-Fluoroindole-2-carboxylic acid

Product Name 5-Fluoroindole-2-carboxylic acid

CAS399-76-8

MFC9H6FNO2

MW179.15

More

  • 399-76-8_ms
    Mass

    MS2014-05058CW      
    5-fluoro-2-indolecarboxylic acid
    C9H6FNO2            (Mass of molecular ion:    179)
    

       Source Temperature: 250 °C
       Sample Temperature:  25 °C
       Direct, 70 eV
    

          18.0       1.6
          50.0       1.1
          57.0       5.1
          61.0       1.1
          62.0       2.1
          63.0       1.7
          66.5       2.1
          67.0       1.7
          75.0       1.3
          80.0       1.4
          80.5       8.9
          81.0       5.4
          82.0       1.5
          86.0       1.1
          87.0       1.9
          88.0       1.0
          89.5       1.7
          95.0       1.6
         105.0       2.1
         106.0       6.4
         107.0      19.8
         108.0       2.8
         113.0       1.2
         114.0       1.2
         132.0      10.1
         133.0      73.9
         134.0       9.4
         135.0       1.2
         150.0       1.7
         160.0       1.4
         161.0     100.0
         162.0      11.6
         178.0       1.1
         179.0      54.1
         180.0       5.5
    

400 MHz in DMSO-d6

  • 399-76-8_1hnmr

    1H NMR 399.65 MHz
    C9 H6 F N O2 0.041 g : 0.5 ml DMSO-d6
    5-fluoro-2-indolecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 13.1 B *1 11.93 C 7.482 D 7.439 E 7.14 G 7.12 J(F-19,C) = 4.6 HZ. J(F-19,D) = 9.8 HZ.

         Hz     ppm     Int.
    

       5246.58  13.128     31
       4768.80  11.933    383
       2997.56   7.501    319
       2992.92   7.489    339
       2988.77   7.479    373
       2983.89   7.467    366
       2979.25   7.455    394
       2976.81   7.449    401
       2969.48   7.431    388
       2967.04   7.425    374
       2865.97   7.172    330
       2863.28   7.165    313
       2856.45   7.148    501
       2854.00   7.142    440
       2848.39   7.128    727
       2847.66   7.126   1000
       2846.19   7.122    828
       2845.46   7.120    816
    

in DMSO-d6

  • 399-76-8_13cnmr

KBr disc

  • 399-76-8_ir1_2

nujol mull

  • 399-76-8_ir2

  • 399-76-8_raman