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105-44-2

甲基异丁基酮肟(105-44-2)核磁图(13CNMR)

产品名称:甲基异丁基酮肟

CAS:105-44-2

分子式:C6H13NO

分子量: 115.17

InChI:InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3

InChIKey: ZKALVNREMFLWAN-UHFFFAOYSA-N

Smiles:CC(=NO)CC(C)C

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    Mass

    MS-NW-1209          
    4-methyl-2-pentanone oxime
    C6H13NO             (Mass of molecular ion:    115)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       5.4
          18.0       3.6
          27.0      11.4
          28.0       7.7
          29.0       8.6
          30.0       1.7
          31.0       2.4
          32.0       1.2
          33.0       4.3
          38.0       1.2
          39.0      11.5
          40.0       3.0
          41.0      30.3
          42.0      35.3
          43.0      20.0
          44.0       1.1
          45.0       1.5
          53.0       1.4
          54.0       7.3
          55.0       7.1
          56.0      11.1
          57.0      18.7
          58.0       5.2
          60.0       1.9
          69.0       2.9
          72.0       1.0
          73.0     100.0
          74.0       4.2
          82.0       2.1
          83.0       3.7
          84.0       3.1
          97.0       1.0
          98.0       2.5
         100.0      12.3
         115.0       2.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H13 N O 0.04 ml : 0.5 ml CDCl3
    4-methyl-2-pentanone oxime
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.6 B *1 2.27 C 2.06 D *1 2.05 E *2 1.874 F *2 1.865 G *3 0.942 J *3 0.916

         Hz     ppm     Int.
    

        207.81   2.321     28
        201.54   2.251     65
        189.72   2.119     33
        187.81   2.098     59
        184.24   2.058     72
        182.26   2.036    183
        176.70   1.973     25
        175.75   1.963     28
        167.82   1.874   1000
        167.02   1.865    379
        164.88   1.842     28
        163.61   1.827     24
         87.60   0.979    197
         84.82   0.948    492
         81.25   0.908    219
         78.47   0.877    392
    

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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