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37593-03-6

对庚基苯乙酮(37593-03-6)红外图谱(IR1)

产品名称:对庚基苯乙酮

CAS:37593-03-6

分子式:C15H22O

分子量: 218.33

InChI:InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3

InChIKey: UQBRZOXCKKBKDU-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(CCCCCCC)C=C1)C

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    Mass

    MS-NW-9466          
    4'-heptylacetophenone
    C15H22O             (Mass of molecular ion:    218)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.4
          29.0       1.8
          39.0       1.1
          41.0       3.2
          43.0      12.3
          55.0       2.0
          65.0       1.3
          77.0       2.2
          79.0       1.0
          89.0       1.7
          90.0       4.1
          91.0      16.4
          92.0       1.8
         103.0       1.8
         104.0       1.2
         105.0       6.5
         115.0       1.0
         118.0       2.5
         119.0       1.1
         131.0       2.3
         133.0       4.0
         134.0       3.0
         189.0       1.0
         203.0     100.0
         204.0      15.5
         205.0       1.3
         218.0      11.2
         219.0       1.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C15 H22 O 0.05 ml : 0.5 ml CDCl3
    4'-heptylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.869 B 7.249 C 2.647 D 2.561 E 1.62 F 1.31 G 1.27 J 0.876

         Hz     ppm     Int.
    

       3151.25   7.886     35
       3149.41   7.881    220
       3147.46   7.876     78
       3142.94   7.865     79
       3140.99   7.860    236
       3139.16   7.855     44
       2904.17   7.267     34
       2902.34   7.263    201
       2900.39   7.258     71
       2895.75   7.246     66
       2893.80   7.241    190
       2891.97   7.237     37
       1065.55   2.667    101
       1057.98   2.648    126
       1050.05   2.628    112
       1048.95   2.625     76
       1023.56   2.562   1000
        655.03   1.640     45
        647.46   1.621     62
        641.72   1.606     42
        639.89   1.602     48
        532.71   1.333     69
        528.69   1.323    105
        525.02   1.314    184
        522.46   1.308    132
        521.24   1.305    141
        518.68   1.298    165
        512.33   1.282    106
        508.42   1.273    127
        507.20   1.270    136
        503.30   1.260    104
        494.51   1.238     37
        357.18   0.894    118
        350.34   0.877    350
        343.14   0.859    140
    

in CDCl3

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liquid film

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