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

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

¹H NMR	89.56 MHz
C₆ H₁₃ N O	0.04 ml : 0.5 ml CDCl₃
4-methyl-2-pentanone oxime

    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