4-Nitroacetophenone(100-19-6) ¹³C NMR

Product Name4-Nitroacetophenone

CAS 100-19-6

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

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4-Nitroacetophenone(100-19-6) <sup>13</sup>C NMR
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

4-Nitroacetophenone(100-19-6) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₈ H₇ N O₃	0.065 g : 0.5 ml CDCl₃
4'-nitroacetophenone

    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