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92-43-3

菲尼酮(92-43-3)Raman光谱

产品名称:菲尼酮

CAS:92-43-3

分子式:C9H10N2O

分子量: 162.19

InChI:InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)

InChIKey: CMCWWLVWPDLCRM-UHFFFAOYSA-N

Smiles:N1(C2=CC=CC=C2)CCC(=O)N1

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    Mass

    MS-NW-1726          
    1-phenyl-3-pyrazolidinone
    C9H10N2O            (Mass of molecular ion:    162)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.0
          18.0       1.4
          26.0       3.1
          27.0      12.4
          28.0      10.3
          29.0       5.5
          37.0       1.5
          38.0       3.8
          39.0       9.2
          40.0       1.4
          41.0       2.0
          42.0       1.9
          43.0       1.7
          50.0      10.2
          51.0      35.1
          52.0       6.6
          53.0       1.1
          55.0      11.9
          56.0       1.4
          62.0       1.4
          63.0       5.2
          64.0       5.9
          65.0       7.8
          66.0       1.9
          74.0       2.7
          75.0       2.0
          76.0       3.0
          77.0      93.5
          78.0      12.3
          79.0       6.3
          90.0       1.3
          91.0      15.5
          92.0      19.2
          93.0       4.4
         104.0       5.2
         105.0      26.5
         106.0      21.8
         107.0      38.0
         108.0      11.3
         117.0       1.2
         118.0       1.8
         119.0      12.4
         120.0       6.2
         133.0       1.5
         160.0       2.4
         161.0       4.5
         162.0     100.0
         163.0      10.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 N2 O 0.05 ml : 0.5 ml CDCl3
    1-phenyl-3-pyrazolidinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.47 B 7.29 C 7.04 D 6.97 E 3.902 F 2.573

         Hz     ppm     Int.
    

        848.25   9.472    256
        663.31   7.407    155
        662.25   7.395    225
        660.25   7.373    128
        657.56   7.343    165
        656.00   7.325    318
        654.56   7.309    462
        653.81   7.301    423
        653.44   7.297    434
        647.50   7.230    630
        644.75   7.200    141
        633.31   7.072    859
        632.31   7.061    996
        629.13   7.025    297
        628.25   7.015    285
        626.13   6.992    581
        624.31   6.971    477
        620.50   6.929    132
        619.25   6.915    145
        618.00   6.901     78
        358.06   3.998    422
        354.56   3.959     69
        350.00   3.908    920
        346.69   3.872     61
        346.00   3.864     65
        342.13   3.821    551
        237.81   2.656    559
        235.06   2.625     68
        229.88   2.567   1000
        226.63   2.531     66
        224.88   2.511     72
        221.81   2.477    414
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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