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返回ChemicalBook首页>CAS数据库列表>6305-43-7更多图谱> 1,4-二溴-2,3-丁二酮(6305-43-7)核磁图(13CNMR)

6305-43-7

1,4-二溴-2,3-丁二酮(6305-43-7)核磁图(13CNMR)

分子式:C4H4Br2O2

分子量: 243.88

InChI:InChI=1S/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2

InChIKey: RZMOICJDRADLCT-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6543          
    1,4-dibromo-2,3-butanedione
    C4H4Br2O2           (Mass of molecular ion:    242)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       5.5
          26.0       1.3
          27.0       2.5
          28.0       1.7
          41.0       1.9
          42.0     100.0
          43.0       7.7
          79.0       2.1
          80.0       1.6
          81.0       2.1
          82.0       1.6
          92.0       1.4
          93.0      22.9
          94.0       1.5
          95.0      21.9
         120.0       1.2
         121.0      51.7
         122.0       2.1
         123.0      49.0
         124.0       1.3
         242.0       1.1
         244.0       2.1
         246.0       1.0
    

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H4 Br2 O2 0.045 g : 0.5 ml CDCl3
    1,4-dibromo-2,3-butanedione
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.330

         Hz     ppm     Int.
    

       1299.00   4.330   1000
    

in CDCl3

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KBr disc

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nujol mull

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