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608-36-6

2,3-二溴丁二酸(608-36-6)核磁图(1HNMR)

产品名称:2,3-二溴丁二酸

CAS:608-36-6

分子式:C4H4Br2O4

分子量: 275.88

InChI:InChI=1/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2+

InChIKey: FJWGRXKOBIVTFA-XIXRPRMCNA-N

Smiles:C(O)(=O)[C@@H](Br)[C@@H](Br)C(O)=O |&1:3,5,r|

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    Mass

    MS-NW-0401          
    meso-2,3-dibromosuccinic acid
    C4H4Br2O4           (Mass of molecular ion:    274)
    

       Source Temperature: 200 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          12.0       1.0
          14.0       1.5
          15.0       3.2
          16.0       2.3
          18.0       3.3
          24.0       1.7
          25.0       9.7
          26.0      34.8
          27.0      27.4
          28.0      10.4
          29.0       5.9
          39.5       1.9
          40.0       1.9
          40.5       1.9
          41.0       3.6
          42.0       8.3
          43.0      13.1
          44.0      92.2
          45.0      41.5
          46.0       1.7
          52.0       1.9
          53.0      29.0
          54.0       5.8
          55.0       1.9
          59.0       2.9
          69.0       3.3
          70.0       5.1
          71.0      46.5
          72.0       3.5
          79.0      38.4
          80.0     100.0
          81.0      37.9
          82.0      95.9
          83.0       2.3
          85.0       2.0
          92.0       1.0
          93.0       3.6
          94.0       1.5
          95.0       3.0
          98.0       3.1
          99.0       4.7
         104.0       8.2
         105.0      19.1
         106.0       8.0
         107.0      18.4
         120.0       2.5
         121.0       1.6
         122.0       9.9
         123.0       1.8
         124.0       7.9
         132.0       6.5
         133.0      35.0
         134.0       7.1
         135.0      33.9
         136.0       1.3
         149.0       4.6
         150.0      63.7
         151.0      13.3
         152.0      60.5
         153.0       9.1
         165.0       1.7
         167.0       2.3
         176.0       1.2
         177.0       3.8
         178.0       1.5
         179.0       3.9
         195.0       3.6
         197.0       3.7
    

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H4 Br2 O4 0.043 g : 0.5 ml DMSO-d6
    meso-2,3-dibromosuccinic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 12.85 D(B) 4.536

         Hz     ppm     Int.
    

       3855.02  12.850    130
       1360.81   4.536   1000
    

DMSO-d6

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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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