700-58-3

金刚烷酮(700-58-3)质谱(MS)

产品名称:金刚烷酮

CAS:700-58-3

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2

InChIKey: IYKFYARMMIESOX-UHFFFAOYSA-N

Smiles:C12CC3CC(CC(C3)C1=O)C2

Mass

MS-NW-7172          
tricyclo(3.3.1.1(3,7))decan-2-one
C10H14O             (Mass of molecular ion:    150)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0      12.6
      29.0       3.8
      38.0       1.2
      39.0      18.2
      40.0       3.4
      41.0      20.1
      42.0       2.2
      43.0       2.5
      50.0       1.8
      51.0       5.3
      52.0       2.8
      53.0      11.7
      54.0      13.6
      55.0       6.8
      57.0       4.3
      63.0       1.4
      65.0       4.7
      66.0       8.5
      67.0      14.5
      68.0       6.2
      71.0       1.2
      72.0      18.7
      73.0       1.0
      77.0      12.0
      78.0      18.8
      79.0      73.4
      80.0      67.2
      81.0      43.8
      82.0       3.8
      91.0      12.8
      92.0       4.0
      93.0      15.5
      94.0       6.2
      95.0       2.4
      96.0       1.8
     104.0      10.5
     105.0       2.0
     106.0       2.6
     107.0       5.1
     108.0       5.1
     109.0       3.4
     117.0      17.9
     118.0       2.1
     119.0       1.8
     121.0       2.8
     122.0       3.9
     131.0       2.2
     132.0       6.9
     150.0     100.0
     151.0      11.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₄ O	0.039 g : 0.5 ml CDCl₃
tricyclo(3.3.1.1(3,7))decan-2-one

    Assign.     Shift(ppm)

      A             2.55
      B          2.26 to 1.81

     Hz     ppm     Int.

    227.75   2.543    161
    195.69   2.186     51
    195.31   2.181     51
    194.69   2.174     50
    183.00   2.044   1000
    174.25   1.946    264
    165.00   1.843     52

in CDCl3