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10541-56-7

对辛基苯乙酮(10541-56-7)核磁图(1HNMR)

产品名称:对辛基苯乙酮

CAS:10541-56-7

分子式:C16H24O

分子量: 232.36

InChI:InChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3

InChIKey: GARQDIVXKVBJFP-UHFFFAOYSA-N

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

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    Mass

    MS-NW-9471          
    4'-octylacetophenone
    C16H24O             (Mass of molecular ion:    232)
    

       Source Temperature: 250 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.1
          29.0       1.9
          41.0       3.3
          43.0      11.0
          55.0       1.4
          57.0       1.7
          77.0       1.8
          89.0       1.3
          90.0       3.3
          91.0      14.3
          92.0       1.7
         103.0       1.5
         104.0       1.0
         105.0       5.7
         118.0       2.3
         119.0       1.1
         131.0       2.7
         133.0       3.6
         134.0       3.6
         147.0       1.4
         217.0     100.0
         218.0      16.5
         219.0       1.4
         232.0      12.8
         233.0       2.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C16 H24 O 0.05 ml : 0.5 ml CDCl3
    4'-octylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.869 B 7.249 C 2.645 D 2.559 E 1.618 F 1.30 G 1.26 J 0.875

         Hz     ppm     Int.
    

       3151.25   7.886     36
       3149.29   7.881    226
       3147.46   7.876     80
       3142.82   7.864     80
       3140.87   7.860    240
       3139.04   7.855     45
       2901.49   7.261    205
       2899.54   7.256     72
       2894.90   7.244     67
       2893.07   7.240    189
       1064.70   2.665    102
       1057.13   2.646    127
       1049.32   2.626    111
       1025.51   2.567     31
       1022.71   2.560   1000
        654.17   1.637     44
        646.85   1.619     64
        639.28   1.600     50
        524.05   1.312    144
        519.65   1.301    181
        512.33   1.282    130
        510.01   1.277    140
        505.00   1.264    196
        356.69   0.893    115
        349.85   0.876    368
        342.77   0.858    153
    

in CDCl3

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liquid film

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