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115-22-0

3-羟基-3-甲基-2-丁酮(115-22-0)核磁图(13CNMR)

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3

InChIKey: BNDRWEVUODOUDW-UHFFFAOYSA-N

Smiles:CC(=O)C(O)(C)C

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    Mass

    MS-NW-1352          
    3-hydroxy-3-methyl-2-butanone
    C5H10O2             (Mass of molecular ion:    102)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.5
          15.0       9.9
          18.0       2.9
          27.0       3.0
          28.0       2.5
          29.0       4.3
          31.0      41.6
          39.0       4.6
          41.0      20.6
          42.0       2.6
          43.0      33.0
          44.0       1.3
          45.0       2.0
          57.0       3.3
          58.0       1.3
          59.0     100.0
          60.0       3.5
          69.0       2.4
          71.0       1.7
          85.0       1.2
          86.0       6.0
          87.0       4.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H10 O2 0.02 ml : 0.5 ml CDCl3
    3-hydroxy-3-methyl-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.8 B 2.249 C 1.394

         Hz     ppm     Int.
    

        201.44   2.250    539
        124.88   1.395   1000
        122.94   1.373     40
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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