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590-50-1

4,4-二甲基-2-戊酮(590-50-1)质谱(MS)

产品名称:4,4-二甲基-2-戊酮

CAS:590-50-1

分子式:C7H14O

分子量: 114.19

InChI:InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3

InChIKey: AZASWMGVGQEVCS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5809          
    4,4-dimethyl-2-pentanone
    C7H14O              (Mass of molecular ion:    114)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       4.2
          27.0       6.4
          29.0      12.6
          39.0       6.9
          40.0       1.1
          41.0      19.9
          42.0       1.5
          43.0     100.0
          44.0       2.4
          53.0       1.1
          55.0       3.6
          56.0       4.6
          57.0      48.6
          58.0      33.5
          59.0      10.5
          71.0       2.6
          85.0       1.0
          86.0       1.1
          99.0       2.7
         114.0       3.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H14 O 0.04 ml : 0.5 ml CDCl3
    4,4-dimethyl-2-pentanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.329 B 2.128 C 1.020

         Hz     ppm     Int.
    

        208.63   2.330    123
        191.00   2.133    218
        190.50   2.128    327
        190.00   2.122    151
         93.50   1.044     29
         91.38   1.021   1000
         89.38   0.998     39
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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