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氘代丙酮(666-52-4)核磁图(1HNMR)

产品名称: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]


  • 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




  • 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





Liquid film





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