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4433-30-1

十一苯酮(4433-30-1)红外图谱(IR1)

产品名称:十一苯酮

CAS:4433-30-1

分子式:C17H26O

分子量: 246.39

InChI:InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3

InChIKey: LHJBFOGCFZHBAJ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7057          
    undecanophenone
    C17H26O             (Mass of molecular ion:    246)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       2.2
          27.0       3.2
          29.0       5.7
          39.0       1.8
          41.0       8.6
          42.0       1.5
          43.0       5.8
          51.0       4.5
          55.0       4.4
          57.0       1.5
          69.0       1.1
          77.0      24.5
          78.0       4.7
          91.0       1.5
         105.0      65.6
         106.0       4.9
         120.0     100.0
         121.0      11.1
         133.0      10.4
         134.0       1.4
         246.0      10.9
         247.0       2.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C17 H26 O 0.040 g : 0.5 ml CDCl3
    undecanophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.953 B 7.69 to 7.22 C 2.944 D 1.73 E 1.51 to 1.07 F 0.88

         Hz     ppm     Int.
    

        717.31   8.010    120
        715.63   7.991    141
        713.81   7.971     81
        712.81   7.960     73
        712.00   7.950     74
        710.19   7.930    133
        707.69   7.902    175
        677.69   7.567     50
        676.38   7.553     68
        672.13   7.505    265
        671.25   7.495    245
        668.94   7.470    115
        666.38   7.441     91
        664.75   7.423    131
        661.56   7.387     30
        661.19   7.383     30
        659.50   7.364     38
        271.63   3.033     95
        264.69   2.956    198
        257.25   2.873    148
        162.19   1.811     46
        162.06   1.810     46
        159.56   1.782     44
        155.25   1.734     70
        150.44   1.680     64
        149.13   1.666     59
        148.38   1.657     58
        144.00   1.608     33
        143.19   1.599     32
        142.81   1.595     32
        142.25   1.589     32
        141.88   1.585     32
        113.63   1.269   1000
         95.00   1.061     33
         94.88   1.060     33
         94.31   1.054     32
         93.56   1.045     31
         92.63   1.035     31
         91.94   1.027     31
         91.44   1.021     31
         90.00   1.005     33
         83.69   0.935    113
         82.19   0.918    106
         78.63   0.878    263
         72.56   0.811     77
    

in CDCl3

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KBr disc

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nujol mull

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