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2052-01-9

2-溴代异丁酸(2052-01-9)核磁图(1HNMR)

产品名称:2-溴代异丁酸

CAS:2052-01-9

分子式:C4H7BrO2

分子量: 167

InChI:InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)

InChIKey: XXSPGBOGLXKMDU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5087          
    2-bromo-2-methylpropionic acid
    C4H7BrO2            (Mass of molecular ion:    166)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.0
          18.0       1.7
          20.0       1.0
          26.0       2.5
          27.0      14.1
          28.0       4.7
          29.0       1.5
          31.0       5.5
          36.0       1.1
          37.0       2.7
          38.0       4.6
          39.0      27.4
          40.0       8.7
          41.0      68.9
          42.0      17.3
          43.0      12.9
          44.0       1.7
          45.0      11.8
          53.0       1.1
          57.0       1.1
          58.0       2.5
          59.0      19.6
          68.0       2.1
          69.0       6.9
          70.0       2.1
          79.0       4.4
          80.0      11.5
          81.0       4.3
          82.0      11.1
          85.0       1.0
          86.0      19.0
          87.0     100.0
          88.0       5.4
         121.0       7.8
         122.0       1.1
         123.0       7.7
         124.0       1.0
         166.0       1.8
         168.0       1.6
    

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H7 Br O2 0.038 g : 0.5 ml CDCl3
    2-bromo-2-methylpropionic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.961 D(B) 10.79

         Hz     ppm     Int.
    

       3237.00  10.790     25
        588.33   1.961   1000
    

in CDCl3

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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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