46429-76-9

N,N-DIMETHYL-3,5-DINITROANILINE(46429-76-9) ¹³C NMR

Product NameN,N-DIMETHYL-3,5-DINITROANILINE

CAS 46429-76-9

Molecular FormulaC8H9N3O4

Molecular Weight211.17

InChIInChI=1S/C8H9N3O4/c1-9(2)6-3-7(10(12)13)5-8(4-6)11(14)15/h3-5H,1-2H3

InChIKey OXIFFLMOPHMUEE-UHFFFAOYSA-N

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

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N,N-DIMETHYL-3,5-DINITROANILINE(46429-76-9) <sup>13</sup>C NMR
Mass

MS-IW-9060          
N,N-dimethyl-3,5-dinitroaniline
C8H9N3O4            (Mass of molecular ion:    211)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.8
      17.0       1.6
      18.0       8.1
      28.0       3.1
      30.0       1.4
      39.0       1.3
      42.0       5.9
      43.0       1.7
      44.0       4.2
      50.0       1.8
      51.0       1.7
      52.0       1.1
      53.0       1.0
      55.0       1.4
      56.0       1.6
      62.0       2.2
      63.0      21.9
      64.0       2.2
      65.0       1.2
      66.0       4.3
      67.0       1.0
      68.0       2.0
      69.0       1.8
      72.0      65.3
      73.0       2.7
      74.0       3.4
      75.0      14.6
      76.0       2.3
      77.0       1.2
      79.0       3.5
      80.0       1.5
      82.0       1.8
      88.0       1.3
      91.0       1.8
      92.0       4.9
      94.0       3.9
     103.0       1.8
     104.0       8.7
     105.0       1.0
     105.5       1.0
     106.0       8.6
     107.0       5.0
     118.0       8.6
     119.0       6.4
     120.0       1.6
     134.0      16.1
     135.0       9.3
     164.0       5.9
     165.0       5.0
     210.0      13.3
     211.0     100.0
     212.0      10.3
     213.0       1.3

parameter in CDCl3

N,N-DIMETHYL-3,5-DINITROANILINE(46429-76-9) <sup>13</sup>C NMR

¹H NMR	300 MHz
C₈ H₉ N₃ O₄	0.040 g : 0.5 ml CDCl₃
N,N-dimethyl-3,5-dinitroaniline

    Parameter     ppm  Hz

      D(A)         8.238
      D(B)         7.721
       J(A,B)          1.9
     
      D(C)         3.164

     Hz     ppm     Int.

   2473.33   8.244     44
   2471.43   8.238     86
   2469.54   8.232     46
   2317.27   7.724    175
   2315.37   7.718    171
    949.18   3.164   1000

in CDCl3