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618-51-9

3-Iodobenzoic acid

Product Name 3-Iodobenzoic acid

CAS618-51-9

MFC7H5IO2

MW248.02

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  • 618-51-9_ms
    Mass

    MS-NW-0204          
    m-iodobenzoic acid
    C7H5IO2             (Mass of molecular ion:    248)
    

       Source Temperature: 190 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          37.0       1.7
          38.0       2.2
          39.0       6.2
          45.0       1.9
          49.0       1.7
          50.0      18.2
          51.0       6.1
          53.0       1.6
          63.0       1.4
          64.0       1.4
          65.0      30.0
          66.0       1.7
          73.0       2.2
          74.0      10.6
          75.0      10.6
          76.0      19.5
          77.0       2.5
          92.0       1.9
          93.0       3.2
         103.0       2.3
         104.0       1.5
         115.5       1.5
         121.0      26.7
         122.0       2.2
         127.0       4.8
         203.0       8.3
         231.0      11.5
         232.0       1.0
         248.0     100.0
         249.0       7.9
    

400 MHz in DMSO-d6

  • 618-51-9_1hnmr

    1H NMR 399.65 MHz
    C7 H5 I O2 0.039 g : 0.5 ml DMSO-d6
    m-iodobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.3 B 8.255 C *1 8.000 D *1 7.967 E 7.333

         Hz     ppm     Int.
    

       5321.80  13.317     41
       3301.21   8.261    598
       3299.50   8.256   1000
       3297.79   8.252    577
       3202.70   8.014    342
       3201.63   8.012    447
       3200.13   8.008    355
       3194.79   7.994    373
       3193.72   7.992    477
       3192.23   7.988    394
       3189.45   7.981    380
       3188.17   7.978    498
       3187.10   7.975    327
       3181.76   7.962    391
       3180.47   7.959    531
       3179.41   7.956    318
       2941.79   7.361     32
       2938.37   7.353    495
       2930.46   7.333    934
       2926.83   7.324     36
       2926.40   7.323     34
       2925.98   7.322     34
       2922.77   7.314    437
    

KBr disc

  • 618-51-9_ir1_2

nujol mull

  • 618-51-9_ir2

  • 618-51-9_raman