532-24-1

托品酮(532-24-1)Raman光谱

产品名称:托品酮

CAS:532-24-1

分子式:C8H13NO

分子量: 139.2

InChI:InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3

InChIKey: QQXLDOJGLXJCSE-UHFFFAOYSA-N

Smiles:C12N(C)C(CC1)CC(=O)C2

Mass

MS-NW-1917          
tropinone
C8H13NO             (Mass of molecular ion:    139)

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

      15.0       9.1
      18.0       1.8
      26.0       1.7
      27.0       9.3
      28.0       7.8
      29.0       3.2
      30.0       3.0
      39.0       9.0
      40.0       1.8
      41.0      10.6
      42.0      53.5
      43.0       6.0
      44.0       2.1
      51.0       1.2
      53.0       3.3
      54.0       5.2
      55.0      20.2
      56.0       6.3
      57.0       6.1
      65.0       1.1
      67.0       4.4
      68.0       7.2
      69.0       2.3
      70.0       4.9
      80.0       3.9
      81.0      65.3
      82.0     100.0
      83.0      18.2
      84.0       1.3
      94.0       2.8
      96.0      33.5
      97.0      11.4
      98.0       1.1
     110.0       8.1
     111.0       3.5
     139.0      23.2
     140.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₃ N O	0.044 g : 0.5 ml CDCl₃
tropinone

    Assign.     Shift(ppm)

      A             3.45
      B             2.67
      C             2.491
      D             2.17
      E             2.13
      F             1.63

     Hz     ppm     Int.

    310.88   3.472     36
    309.75   3.459     41
    308.69   3.447     45
    307.63   3.435     41
    306.81   3.426     38
    306.31   3.421     38
    305.13   3.407     31
    305.00   3.406     31
    304.81   3.404     31
    235.88   2.634     43
    231.44   2.585     38
    223.13   2.492   1000
    220.81   2.466     31
    204.38   2.283     82
    202.75   2.264     86
    201.75   2.253     78
    200.88   2.243     49
    189.69   2.119     37
    188.94   2.110     46
    188.19   2.102     51
    187.13   2.090     53
    186.50   2.083     52
    185.56   2.072     64
    184.06   2.056     38
    147.31   1.645     59
    139.13   1.554     49

in CDCl3