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119-30-2

5-碘水杨酸(119-30-2)红外图谱(IR1)

产品名称:5-碘水杨酸

CAS:119-30-2

分子式:C7H5IO3

分子量: 264.02

InChI:InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)

InChIKey: SWDNKOFGNPGRPI-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(I)=CC=C1O

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    Mass

    MS-KW-0207          
    5-iodosalicylic acid
    C7H5IO3             (Mass of molecular ion:    264)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.0
          28.0       1.1
          32.0       1.2
          37.0       1.3
          38.0       2.2
          39.0       2.6
          45.0       1.3
          50.0       1.2
          53.0       5.1
          61.0       1.9
          62.0       4.4
          63.0      20.9
          64.0       3.8
          74.0       1.0
          81.0       1.5
          91.0       5.3
          92.0       3.0
          95.0       2.3
         109.0       8.6
         119.0       1.3
         123.0       8.2
         124.0       1.0
         127.0       1.6
         128.0       1.0
         132.0       2.0
         154.0       1.0
         190.0       4.8
         191.0       1.0
         218.0      21.6
         219.0       2.5
         246.0     100.0
         247.0       8.7
         264.0      69.9
         265.0       5.5
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C7 H5 I O3 0.044 g : 0.5 ml DMSO-d6
    5-iodosalicylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.4 B 8.036 C 7.777 D 6.818 J(B,C)=2.3HZ J(C,D)=8.7HZ

         Hz     ppm     Int.
    

       1026.50  11.462     62
        722.99   8.073     41
        721.02   8.051    799
        718.71   8.025   1000
        715.98   7.995     39
        715.64   7.991     38
        714.87   7.983     39
        702.31   7.842    564
        700.00   7.816    422
        698.29   7.797     57
        697.18   7.785     40
        693.68   7.746    622
        691.28   7.719    537
        614.81   6.865    898
        613.44   6.850    151
        612.24   6.837     61
        606.09   6.768    771
        603.87   6.743     46
    

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    1H NMR 399.65 MHz
    C7 H5 I O3 0.038 g : 0.5 ml DMSO-d6
    5-iodosalicylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.038 B 7.787 C 6.825

         Hz     ppm     Int.
    

       3213.65   8.042    917
       3211.36   8.036   1000
       3117.83   7.802    553
       3115.54   7.796    497
       3112.34   7.788     41
       3109.13   7.780    538
       3106.84   7.774    525
       2732.24   6.837    888
       2727.97   6.826     34
       2723.54   6.815    862
    

in DMSO-d6

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KBr disc

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Nujol

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