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100-19-6

對硝基苯乙酮(100-19-6)Raman光譜

產(chǎn)品名稱:對硝基苯乙酮

CAS:100-19-6

分子式:C8H7NO3

分子量: 165.15

InChI:InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3

InChIKey: YQYGPGKTNQNXMH-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C([N+]([O-])=O)C=C1)C

  • 圖譜
    Mass 

    MS-NW-8853          
4'-nitroacetophenone
C8H7NO3             (Mass of molecular ion:    165)


       Source Temperature: 270 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV


          15.0       1.8
      18.0       1.0
      28.0       2.1
      30.0       1.4
      38.0       1.0
      39.0       1.6
      43.0      27.4
      50.0       9.2
      51.0       3.3
      62.0       1.1
      63.0       2.4
      64.0       2.5
      65.0       2.3
      74.0       3.5
      75.0       6.1
      76.0      14.0
      77.0       4.4
      89.0       1.2
      91.0       3.6
      92.0      11.9
     104.0      28.2
     105.0       2.2
     119.0       1.1
     120.0      11.6
     122.0       1.0
     150.0     100.0
     151.0       8.2
     165.0      13.4
     166.0       1.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H7 N O3 0.065 g : 0.5 ml CDCl3
    4'-nitroacetophenone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.307
      B             8.141
      C             2.703
  

         Hz     ppm     Int.


        750.38   8.379     92
    748.19   8.355     43
    743.69   8.304     66
    741.38   8.279    236
    739.63   8.259     61
    733.50   8.191     66
    731.81   8.172    233
    729.44   8.145     65
    724.94   8.095     45
    722.69   8.070     95
    244.50   2.731     35
    242.19   2.705   1000
    239.13   2.671     34

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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