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返回ChemicalBook首页>CAS数据库列表>29263-94-3更多图谱> 2-溴-2-甲基丙二酸二乙酯(29263-94-3)质谱(MS)

29263-94-3

2-溴-2-甲基丙二酸二乙酯(29263-94-3)质谱(MS)

分子式:C8H13BrO4

分子量: 253.09

InChI:InChI=1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3

InChIKey: CSLQAXTUGPUBCW-UHFFFAOYSA-N

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

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    Mass

    MS2014-05109CW      
    diethyl 2-bromo-2-methylmalonate
    C8H13BrO4           (Mass of molecular ion:    252)
    

       Source Temperature: 240 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          15.0       1.7
          16.0       1.3
          17.0      15.4
          18.0       2.0
          26.0       4.8
          27.0      29.3
          28.0      18.1
          29.0      61.0
          30.0       1.7
          31.0       2.3
          32.0       4.5
          41.0       2.4
          42.0       1.1
          43.0      24.9
          44.0       4.2
          45.0       6.6
          52.0       1.1
          53.0       2.3
          54.0       3.4
          55.0      10.9
          56.0       7.2
          57.0       4.4
          71.0       1.2
          72.0       8.2
          73.0      22.4
          74.0       9.0
          75.0       1.1
          80.0       2.1
          81.0       1.1
          82.0       3.0
          83.0      17.2
          84.0       1.7
          85.0       1.1
          99.0       8.4
         100.0       9.1
         101.0       8.0
         102.0       8.0
         105.0       1.6
         106.0       6.2
         107.0       5.5
         108.0       6.5
         109.0       4.3
         110.0       1.2
         123.0       9.1
         125.0       8.8
         126.0       1.3
         127.0       6.1
         128.0       6.8
         129.0      15.8
         130.0       1.2
         133.0       4.5
         134.0      30.3
         135.0       9.3
         136.0      30.1
         137.0       5.2
         146.0       1.2
         147.0       3.0
         151.0      15.7
         152.0     100.0
         153.0      19.0
         154.0      98.2
         155.0       3.5
         174.0       1.5
         179.0      15.0
         180.0      58.3
         181.0      18.1
         182.0      56.7
         183.0       3.6
         207.0      12.6
         208.0       1.2
         209.0      12.2
         210.0       1.1
    

90 MHz in CDCl3

in CDCl3

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    1H NMR 89.56 MHz
    C8 H13 Br O4 0.05 ml : 0.5 ml CDCl3
    diethyl 2-bromo-2-methylmalonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.281 B 2.079 C 1.303

         Hz     ppm     Int.
    

        394.56   4.406    137
        387.31   4.325    443
        380.19   4.246    464
        376.63   4.206     23
        373.19   4.167    161
        186.25   2.080    945
        123.69   1.382    491
        116.63   1.303   1000
        109.50   1.223    442
    

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in CDCl3

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liquid film

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4880 A,200 M,liquid

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