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Back ChemicalBook Home>CAS DataBase List>121-81-3More Spectrum> 3,5-Dinitrobenzamide(121-81-3) 1H NMR

121-81-3

3,5-Dinitrobenzamide(121-81-3) 1H NMR

Molecular FormulaC7H5N3O5

Molecular Weight211.13

InChIInChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)

InChIKey UUKWKUSGGZNXGA-UHFFFAOYSA-N

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

  • 3,5-Dinitrobenzamide(121-81-3) <sup>1</sup>H NMR
    Mass

    MS-NW-7013          
    3,5-dinitrobenzamide
    C7H5N3O5            (Mass of molecular ion:    211)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       4.3
          28.0       3.0
          30.0       9.8
          37.0       1.8
          38.0       2.8
          39.0       1.2
          44.0      25.2
          50.0      12.1
          51.0       1.6
          52.0       1.9
          53.0       1.3
          61.0       1.9
          62.0       4.2
          63.0       8.4
          64.0       4.6
          65.0       1.0
          73.0       3.1
          74.0      23.1
          75.0      62.9
          76.0      12.9
          77.0       1.1
          79.0       1.2
          90.0       1.7
          91.0       7.2
          92.0       3.0
         100.0       1.3
         101.0       1.8
         102.0       5.5
         103.0      11.6
         104.0       1.0
         107.0       1.2
         118.0       6.5
         119.0      10.3
         120.0       4.8
         121.0       1.3
         137.0       1.2
         148.0       5.3
         149.0      31.5
         150.0       2.9
         165.0      14.4
         166.0       1.6
         168.0       1.7
         193.0       2.2
         194.0       2.1
         195.0     100.0
         196.0       8.8
         197.0       1.5
         211.0      89.1
         212.0       8.4
         213.0       1.3
    

400 MHz in DMSO-d6

  • 3,5-Dinitrobenzamide(121-81-3) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C7 H5 N3 O5 0.035 g : 0.5 ml DMSO-d6
    3,5-dinitrobenzamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.057 B 8.957 C *1 8.65 D *1 8.01

         Hz     ppm     Int.
    

       3621.02   9.061    935
       3619.00   9.056   1000
       3582.00   8.963    309
       3579.99   8.958    500
       3577.79   8.953    239
       3458.92   8.655    158
       3200.83   8.010    161
    

in DMSO-d6

  • 3,5-Dinitrobenzamide(121-81-3) <sup>1</sup>H NMR

KBr disc

  • 3,5-Dinitrobenzamide(121-81-3) <sup>1</sup>H NMR

nujol mull

  • 3,5-Dinitrobenzamide(121-81-3) <sup>1</sup>H NMR

  • 3,5-Dinitrobenzamide(121-81-3) <sup>1</sup>H NMR

3,5-Dinitrobenzamide(121-81-3) 1H NMR Atlas of Related Products

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