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Back ChemicalBook Home>CAS DataBase List>100-19-6More Spectrum> 4-Nitroacetophenone(100-19-6) IR2

4-Nitroacetophenone(100-19-6) IR2

Product Name4-Nitroacetophenone

CAS100-19-6

Molecular FormulaC8H7NO3

Molecular Weight165.15

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

InChIKey YQYGPGKTNQNXMH-UHFFFAOYSA-N

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


  • 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


  • 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



CCl4 solution



KBr disc



nujol mull





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