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600-05-5

2,3-二溴丙酸(600-05-5)红外图谱(IR3)

产品名称:2,3-二溴丙酸

CAS:600-05-5

分子式:C3H4Br2O2

分子量: 231.87

InChI:InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)

InChIKey: ZMYAKSMZTVWUJB-UHFFFAOYSA-N

Smiles:C(O)(=O)C(Br)CBr

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    Mass

    MS-NW-8809          
    2,3-dibromopropionic acid
    C3H4Br2O2           (Mass of molecular ion:    230)
    

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

          14.0       1.4
          15.0       2.1
          18.0       2.8
          25.0       7.1
          26.0      38.1
          27.0     100.0
          28.0       8.7
          29.0       3.1
          36.0       1.0
          41.0       1.5
          42.0       5.5
          43.0       7.7
          44.0      21.0
          45.0      31.7
          46.0       1.0
          53.0       8.5
          54.0       3.7
          55.0      19.1
          56.0       1.4
          71.0      64.2
          72.0      27.2
          73.0       2.3
          79.0       9.4
          80.0      21.6
          81.0       9.6
          82.0      21.1
          93.0       1.5
          95.0       1.0
         104.0       2.4
         105.0      21.5
         106.0      30.3
         107.0      24.1
         108.0      27.2
         109.0       3.8
         120.0       1.4
         122.0       2.0
         123.0       1.2
         125.0       1.1
         133.0       9.2
         135.0       9.1
         150.0      54.4
         151.0      50.5
         152.0      54.6
         153.0      48.2
         154.0       1.9
         185.0       1.1
         187.0       2.1
         189.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H4 Br2 O2 0.048 g : 0.5 ml CDCl3
    2,3-dibromopropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.90 B 4.490 C *1 3.909 D *1 3.706 J(B,D)=4.9HZ. J(B,C)=10.7HZ. J(C,D)=-10.0HZ.

         Hz     ppm     Int.
    

        976.43  10.903    741
        411.01   4.590    470
        406.14   4.535    660
        400.33   4.470    706
        395.46   4.416    819
        393.49   4.394     32
        361.54   4.037    526
        351.54   3.926   1000
        340.94   3.807    778
        337.18   3.765    892
        332.40   3.712    882
        327.27   3.655    433
        322.40   3.600    307
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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