618-87-1

3,5-DINITROANILINE(618-87-1) ¹³C NMR

Product Name3,5-DINITROANILINE

CAS 618-87-1

Molecular FormulaC6H5N3O4

Molecular Weight183.12

InChIInChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2

InChIKey MPBZUKLDHPOCLS-UHFFFAOYSA-N

SmilesC1(N)=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1

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3,5-DINITROANILINE(618-87-1) <sup>13</sup>C NMR
Mass

MS-NW-6504          
3,5-dinitroaniline
C6H5N3O4            (Mass of molecular ion:    183)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.5
      18.0       6.6
      27.0       1.3
      28.0       5.4
      30.0      13.9
      37.0       2.1
      38.0       4.9
      39.0       3.2
      40.0       2.3
      41.0      13.6
      42.0       1.1
      44.0      17.0
      46.0       1.1
      50.0       2.1
      51.0       3.7
      52.0      15.6
      53.0       2.6
      54.0       1.3
      61.0       3.0
      62.0       8.9
      63.0      30.0
      64.0      80.3
      65.0       8.5
      66.0       2.3
      67.0       2.5
      68.0       1.6
      70.0       1.5
      74.0       1.5
      75.0       1.2
      76.0       1.4
      78.0       3.2
      79.0       6.0
      89.0       2.8
      90.0       8.7
      91.0      26.8
      92.0       2.4
      95.0       5.2
     107.0      16.7
     108.0       1.3
     123.0       1.7
     125.0       1.2
     137.0      13.8
     138.0       1.0
     153.0       1.2
     167.0       1.6
     183.0     100.0
     184.0       8.0
     185.0       1.1

400 MHz in DMSO-d6

3,5-DINITROANILINE(618-87-1) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₆ H₅ N₃ O₄	0.033 g : 0.5 ml DMSO-d₆
3,5-dinitroaniline

    Assign.     Shift(ppm)

      A             7.880
      B             7.729
      C             6.53

     Hz     ppm     Int.

   3151.61   7.886    271
   3149.54   7.881    498
   3147.58   7.876    292
   3089.97   7.732   1000
   3087.89   7.727    938
   2609.01   6.529    543

in DMSO-d6