100-64-1

環(huán)己酮肟(100-64-1)質(zhì)譜(MS)

產(chǎn)品名稱:環(huán)己酮肟

CAS:100-64-1

分子式:C6H11NO

分子量: 113.16

InChI:InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2

InChIKey: VEZUQRBDRNJBJY-UHFFFAOYSA-N

Smiles:C1(=N/O)/CCCCC/1

Mass

MS-NW-1838          
cyclohexanone oxime
C6H11NO             (Mass of molecular ion:    113)

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

      15.0       4.4
      18.0       3.6
      26.0       7.5
      27.0      46.8
      28.0      24.7
      29.0      26.6
      30.0       9.5
      31.0       3.7
      37.0       2.1
      38.0       5.5
      39.0      52.2
      40.0      14.4
      41.0     100.0
      42.0      42.7
      43.0       7.4
      44.0       9.1
      45.0       2.2
      46.0      14.7
      50.0       3.9
      51.0       7.2
      52.0       6.4
      53.0      20.5
      54.0      49.5
      55.0      69.1
      56.0       7.8
      57.0       7.1
      58.0       1.7
      59.0      57.0
      60.0       1.7
      63.0       1.2
      64.0       1.2
      65.0       4.0
      66.0       5.5
      67.0      37.8
      68.0      37.2
      69.0      22.8
      70.0       6.0
      71.0       1.8
      72.0      45.2
      73.0       2.1
      77.0       2.8
      79.0      10.6
      80.0       6.8
      81.0      27.3
      82.0       5.6
      83.0       2.5
      84.0      14.7
      85.0      22.2
      86.0       1.5
      94.0       3.9
      95.0       1.2
      96.0      19.7
      97.0       4.5
      98.0      22.3
      99.0       1.4
     112.0       3.6
     113.0      70.3
     114.0       5.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ N O	0.044 g : 0.5 ml CDCl₃
cyclohexanone oxime

    Assign.     Shift(ppm)

      A             8.9
      B             2.50
      C             2.22
      D          1.74 to 1.55

     Hz     ppm     Int.

    798.00   8.911     50
    230.94   2.579    104
    228.19   2.548    148
    225.00   2.513    283
    220.50   2.463    159
    219.25   2.449    196
    205.06   2.290    107
    199.56   2.229    261
    199.06   2.223    257
    195.69   2.186    149
    193.31   2.159    219
    189.88   2.121     42
    160.81   1.796     42
    160.38   1.791     41
    158.13   1.766     61
    156.00   1.742    116
    151.69   1.694    250
    145.75   1.628   1000
    143.75   1.606    923
    142.19   1.588    512

in CDCl3