17931-55-4

双环(3.3.1)壬基-9-酮(17931-55-4)质谱(MS)

产品名称:双环(3.3.1)壬基-9-酮

CAS:17931-55-4

分子式:C9H14O

分子量: 138.21

InChI:InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2

InChIKey: SKTMMSQPXGWCAP-UHFFFAOYSA-N

Smiles:C12C(=O)C(CCC1)CCC2

Mass

MS-NW-6268          
bicyclo(3.3.1)nonan-9-one
C9H14O              (Mass of molecular ion:    138)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.2
      18.0       2.0
      26.0       1.8
      27.0      20.8
      28.0       1.1
      29.0       8.4
      38.0       1.7
      39.0      25.1
      40.0       5.1
      41.0      39.6
      42.0       3.1
      43.0       2.1
      50.0       1.6
      51.0       3.7
      52.0       2.1
      53.0      10.0
      54.0      42.1
      55.0      15.7
      56.0       3.9
      57.0       1.5
      63.0       1.1
      65.0       3.6
      66.0       9.6
      67.0     100.0
      68.0      24.6
      69.0       9.4
      70.0       2.7
      77.0       3.2
      78.0       4.4
      79.0      12.4
      80.0       3.9
      81.0      26.2
      82.0      58.4
      83.0       5.9
      84.0       3.5
      91.0      15.1
      92.0      16.4
      93.0       2.5
      94.0       4.2
      95.0      10.8
      96.0       3.6
      97.0       2.2
     105.0       3.2
     107.0       1.2
     109.0       3.4
     110.0      19.3
     111.0       1.8
     119.0       1.1
     120.0      12.7
     121.0       1.6
     138.0      53.8
     139.0       6.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₄ O	0.041 g : 0.5 ml CDCl₃
bicyclo(3.3.1)nonan-9-one

    Assign.     Shift(ppm)

      A             2.42
      B          2.13 to 1.97
      C          1.72 to 1.42
     
     CHEMICALLY EXCHANGING SYSTEM.

     Hz     ppm     Int.

    216.88   2.422    135
    213.94   2.389    103
    209.25   2.337     30
    207.69   2.320     32
    202.13   2.257     31
    196.31   2.192     34
    195.75   2.186     30
    195.25   2.181     30
    194.75   2.175     30
    191.19   2.135    134
    185.94   2.077   1000
    184.63   2.062    803
    177.25   1.980    161
    174.13   1.945     86
    171.94   1.920     59
    170.06   1.899     43
    169.63   1.895     41
    151.06   1.687     30
    150.88   1.685     30
    148.13   1.654     35
    143.81   1.606     60
    141.44   1.580     33
    138.75   1.550     82
    136.63   1.526     53
    134.69   1.504    117

in CDCl3