121-81-3

3,5-二硝基苯甲酰胺(121-81-3)质谱(MS)

产品名称:3,5-二硝基苯甲酰胺

CAS:121-81-3

分子式:C7H5N3O5

分子量: 211.13

InChI:InChI=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

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

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

¹H NMR	399.65 MHz
C₇ H₅ N₃ O₅	0.035 g : 0.5 ml DMSO-d₆
3,5-dinitrobenzamide

    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