3,3'-DINITROBENZOPHENONE(21222-05-9) ¹H NMR

Product Name3,3'-DINITROBENZOPHENONE

CAS 21222-05-9

Molecular FormulaC13H8N2O5

Molecular Weight272.21

InChIInChI=1S/C13H8N2O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H

InChIKey BSDKBWGNIJMCID-UHFFFAOYSA-N

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

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Mass

MS-NW-7050          
3,3'-dinitrobenzophenone
C13H8N2O5           (Mass of molecular ion:    272)

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

      18.0       2.3
      30.0       1.5
      39.0       1.1
      50.0       8.0
      51.0       1.5
      63.0       3.2
      64.0       2.1
      74.0       2.7
      75.0       7.8
      76.0      27.5
      77.0       2.4
      92.0       4.4
     104.0      27.6
     105.0       2.4
     122.0       2.2
     139.0       1.9
     140.0       1.1
     150.0     100.0
     151.0      10.8
     152.0       5.3
     168.0       2.5
     180.0       2.0
     255.0       1.3
     272.0      35.0
     273.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₈ N₂ O₅	0.047 g : 0.5 ml CDCl₃
3,3'-dinitrobenzophenone

    Assign.     Shift(ppm)

      A             8.63
      B             8.518
      C             8.147
      D             7.791

     Hz     ppm     Int.

    774.56   8.649    519
    772.88   8.630   1000
    771.25   8.612    811
    770.69   8.606    719
    768.69   8.583    574
    767.44   8.570    598
    766.44   8.558    375
    765.19   8.544    312
    763.50   8.526    136
    760.69   8.494    539
    759.44   8.480    598
    758.44   8.469    475
    757.19   8.455    424
    735.63   8.214    376
    734.31   8.200    521
    732.75   8.182    367
    727.94   8.128    618
    726.44   8.112    771
    725.06   8.096    502
    704.50   7.867    663
    703.94   7.860    637
    696.50   7.777    840
    688.81   7.692    350
    688.31   7.686    330

in CDCl3