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59-85-8

对氯汞苯甲酸(59-85-8)核磁图(1HNMR)

产品名称:对氯汞苯甲酸

CAS:59-85-8

分子式:C7H5ClHgO2

分子量: 357.16

InChI:InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1

InChIKey: YFZOUMNUDGGHIW-UHFFFAOYSA-M

Smiles:C1(C(=O)O)C=CC([Hg]Cl)=CC=1

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    Mass

    MS-NW-2092          
    p-(chloromercurio)benzoic acid
    C7H5ClHgO2          (Mass of molecular ion:    358)
    

       Source Temperature: 230 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          18.0       3.1
          27.0       1.1
          28.0       2.7
          35.0       2.0
          36.0      17.4
          37.0       1.7
          38.0       5.7
          39.0       6.4
          44.0       3.9
          45.0       1.4
          49.0       1.3
          50.0      17.1
          51.0       9.3
          53.0       1.5
          63.0       1.0
          65.0      24.5
          66.0       1.4
          73.0       1.7
          74.0       7.6
          75.0      12.0
          76.0      20.4
          77.0       6.8
          78.0       1.2
          93.0       2.1
         103.0       1.9
         104.0     100.0
         105.0      12.9
         111.0       6.4
         113.0       2.0
         121.0       6.4
         122.0       5.7
         139.0       1.5
         198.0       1.9
         199.0       3.4
         200.0       4.6
         201.0       2.6
         202.0       5.7
         204.0       1.4
         354.0       3.4
         355.0       5.8
         356.0       9.2
         357.0       6.7
         358.0      12.5
         359.0       2.4
         360.0       5.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H5 Cl Hg O2 0.055 g : 0.5 ml DMSO-d6
    p-(chloromercurio)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.867 B 7.602

         Hz     ppm     Int.
    

       3148.93   7.880    829
       3142.33   7.863    357
       3140.63   7.859   1000
       3042.48   7.613    936
       3034.18   7.593    869
    

KBr disc

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nujol mull

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