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700-58-3

金刚烷酮(700-58-3)核磁图(1HNMR)

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

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    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

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    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
    ChemicalStructure
        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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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