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79-43-6

二氯乙酸(79-43-6)紅外圖譜(IR1)

產品名稱:二氯乙酸

CAS:79-43-6

分子式:C2H2Cl2O2

分子量: 128.94

InChI:InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey: JXTHNDFMNIQAHM-UHFFFAOYSA-N

Smiles:C(O)(=O)C(Cl)Cl

  • 圖譜
    Mass 

    MS-NW-0841          
dichloroacetic acid
C2H2Cl2O2           (Mass of molecular ion:    128)


       Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          12.0       1.2
      13.0       3.1
      17.0       1.2
      18.0       3.4
      28.0      12.1
      29.0      15.7
      35.0       6.8
      36.0      12.7
      37.0       2.0
      38.0       3.9
      41.0       1.5
      44.0       9.7
      45.0      42.1
      47.0      14.4
      48.0     100.0
      49.0      70.0
      50.0      31.6
      51.0      22.4
      59.0       1.3
      60.0       5.3
      65.0       3.5
      73.0       3.1
      76.0       6.0
      78.0       1.4
      82.0       1.7
      83.0      30.8
      84.0      62.1
      85.0      20.8
      86.0      42.0
      87.0       3.6
      88.0       6.2
      93.0       3.3
      95.0       1.0

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C2 H2 Cl2 O2 0.05 ml : 0.5 ml D2O
    dichloroacetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.259
  

         Hz     ppm     Int.


       2501.59   6.260   1000

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

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