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598-31-2

溴丙酮(598-31-2)質譜(MS)

產品名稱:溴丙酮

CAS:598-31-2

分子式:C3H5BrO

分子量: 136.98

InChI:InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3

InChIKey: VQFAIAKCILWQPZ-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-5644          
bromoacetone
C3H5BrO             (Mass of molecular ion:    136)


       Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          14.0       1.4
      15.0       8.1
      26.0       2.8
      27.0       6.7
      28.0       1.8
      29.0       4.4
      38.0       1.0
      39.0       1.5
      41.0       1.2
      42.0      11.2
      43.0     100.0
      44.0       4.3
      79.0       1.9
      80.0       2.6
      81.0       1.9
      82.0       2.5
      93.0       8.7
      95.0       8.2
     121.0       2.0
     123.0       2.0
     136.0      11.8
     138.0      11.5

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C3 H5 Br O 0.05 ml : 0.5 ml CDCl3
    bromoacetone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.970
      B             2.369
  

         Hz     ppm     Int.


       1587.04   3.972    761
    947.02   2.370   1000

in CDCl3

  • 圖譜

liquid film (STABILIZED WITH CACO3)

  • 圖譜

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