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666-52-4

氘代丙酮(666-52-4)質(zhì)譜(MS)

產(chǎn)品名稱:氘代丙酮

CAS:666-52-4

分子式:C3D6O

分子量: 64.12

InChI:InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3

InChIKey: CSCPPACGZOOCGX-WFGJKAKNSA-N

Smiles:C([2H])([2H])([2H])C(=O)C([2H])([2H])[2H]

  • 圖譜
    Mass 

    MS2008-03703CW      
acetone-d6
C3D6O               (Mass of molecular ion:     64)


       Source Temperature: 250 °C
   Sample Temperature: 200 °C
   Reservoir, 70 eV


          16.0       1.2
      18.0       8.0
      30.0       3.0
      38.0       1.1
      40.0       1.5
      42.0       3.5
      44.0       5.0
      45.0       2.1
      46.0     100.0
      47.0       2.2
      62.0       1.4
      63.0       1.4
      64.0      39.8
      65.0       1.3

Neat

90 MHz neat

  • 圖譜

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    1H NMR 89.56 MHz
    C3 D6 O neat
    acetone-d6
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.052
     
     J(H-2,H(A))=-2.2HZ
  

         Hz     ppm     Int.


        190.00   2.122     50
    188.25   2.102    359
    186.00   2.077    701
    183.81   2.053   1000
    181.56   2.028    690
    179.44   2.004    354

Neat

in CDCl3

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Liquid film

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