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685-87-0

溴代丙二酸二乙酯(685-87-0)核磁图(13CNMR)

分子式:C7H11BrO4

分子量: 239.06

InChI:InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChIKey: FNJVDWXUKLTFFL-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8545          
    diethyl bromomalonate
    C7H11BrO4           (Mass of molecular ion:    238)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       2.3
          19.0       1.6
          26.0       1.9
          27.0      19.5
          28.0       4.9
          29.0     100.0
          30.0       2.7
          31.0       3.9
          41.0       8.3
          42.0       5.4
          43.0       6.8
          44.0       1.0
          45.0       8.5
          60.0       1.1
          69.0      10.2
          73.0       2.2
          76.0       1.4
          86.0       3.4
          87.0       3.9
          88.0       1.1
          93.0       1.0
          94.0       5.7
          96.0       1.8
         115.0       2.9
         120.0       7.6
         121.0       3.5
         122.0       8.0
         123.0       3.2
         133.0       1.0
         138.0      21.4
         140.0      20.9
         166.0       6.5
         167.0       1.1
         168.0       6.3
         193.0       3.3
         195.0       3.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H11 Br O4 0.05 ml : 0.5 ml CDCl3
    diethyl bromomalonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.853 B 4.296 C 1.317

         Hz     ppm     Int.
    

       1939.82   4.854    514
       1727.91   4.324    246
       1720.83   4.306    610
       1713.62   4.288    633
       1706.54   4.271    271
        539.31   1.350     25
        533.81   1.336    657
        526.73   1.318   1000
        519.53   1.300    685
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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