96-29-7

甲乙酮肟(96-29-7)红外图谱(IR1)

产品名称:甲乙酮肟

CAS:96-29-7

分子式:C4H9NO

分子量: 87.12

InChI:InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3

InChIKey: WHIVNJATOVLWBW-UHFFFAOYSA-N

Smiles:CC(=NO)CC

Mass

MS-NW-2949          
2-butanone oxime
C4H9NO              (Mass of molecular ion:     87)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0      18.0
      17.0       1.0
      18.0       4.8
      26.0       7.0
      27.0      29.4
      28.0      28.8
      29.0      30.6
      30.0       9.1
      31.0      14.4
      32.0       2.3
      37.0       1.2
      38.0       2.1
      39.0      10.7
      40.0       6.3
      41.0      25.6
      42.0     100.0
      43.0      12.6
      44.0       7.1
      45.0       1.4
      46.0       2.0
      50.0       1.4
      51.0       1.9
      52.0       2.1
      53.0       2.9
      54.0       8.8
      55.0      19.0
      56.0       8.4
      58.0      39.3
      59.0       2.1
      60.0       1.7
      68.0      16.6
      69.0       2.3
      70.0      17.3
      71.0       3.5
      72.0      13.6
      86.0      26.4
      87.0      98.0
      88.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₉ N O	0.02 ml : 0.5 ml CDCl₃
2-butanone oxime

    Assign.     Shift(ppm)

      A             9.3
      B             2.34
      C             2.24
      D             1.89
      E             1.87
      F             1.09

     Hz     ppm     Int.

    218.94   2.445     53
    211.25   2.359     87
    203.25   2.270    135
    195.75   2.186    140
    188.38   2.104     45
    169.13   1.889   1000
    167.44   1.870    445
    105.06   1.174    208
     97.88   1.093    443
     97.38   1.088    287
     97.00   1.084    282
     96.50   1.078    139
     90.13   1.007    135
     89.56   1.000    104

in CDCl3