N,N-DIMETHYL-3-NITROANILINE(619-31-8) IR1

Product NameN,N-DIMETHYL-3-NITROANILINE

CAS 619-31-8

Molecular FormulaC8H10N2O2

Molecular Weight166.18

InChIInChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3

InChIKey CJDICMLSLYHRPT-UHFFFAOYSA-N

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

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Mass

MS-NW-4220          
N,N-dimethyl-m-nitroaniline
C8H10N2O2           (Mass of molecular ion:    166)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       4.4
      27.0       2.0
      28.0       2.1
      30.0       1.8
      37.0       1.0
      38.0       2.1
      39.0       5.9
      41.0       2.0
      42.0      32.4
      43.0       1.8
      44.0       3.0
      50.0       7.3
      51.0       7.0
      52.0       4.0
      53.0       1.8
      62.0       1.4
      63.0       8.3
      64.0       3.2
      65.0       5.6
      66.0       2.5
      67.0       1.4
      68.0       1.2
      74.0       2.5
      75.0       3.1
      76.0       5.9
      77.0      26.5
      78.0      13.1
      79.0      16.5
      80.0       3.0
      81.0       1.0
      90.0       3.4
      91.0      11.6
      92.0       7.6
      93.0       4.1
      94.0       1.5
     103.0       2.8
     104.0      17.2
     105.0      27.1
     106.0       2.7
     107.0       1.2
     108.0       3.7
     117.0       1.4
     118.0       9.7
     119.0      22.1
     120.0      34.8
     121.0       3.8
     136.0       1.6
     165.0      24.2
     166.0     100.0
     167.0       9.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ N₂ O₂	0.046 g : 0.5 ml CDCl₃
N,N-dimethyl-m-nitroaniline

    Assign.     Shift(ppm)

      A             7.48
      B             7.46
      C             7.31
      D             6.95
      E             3.017

     Hz     ppm     Int.

    670.38   7.486     35
    668.63   7.466    121
    666.75   7.445    112
    662.19   7.394     46
    655.00   7.314     26
    654.06   7.304     51
    652.81   7.290     26
    626.94   7.001     31
    625.69   6.987     31
    624.38   6.972     28
    622.94   6.956     23
    617.00   6.890     28
    270.19   3.017   1000

in CDCl3

KBr disc

nujol mull

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