100-15-2

N-Methyl-4-nitroaniline(100-15-2) MS

Product NameN-Methyl-4-nitroaniline

CAS 100-15-2

Molecular FormulaC7H8N2O2

Molecular Weight152.15

InChIInChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3

InChIKey XIFJZJPMHNUGRA-UHFFFAOYSA-N

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

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N-Methyl-4-nitroaniline(100-15-2) MS
Mass

MS2015-05133CW      
N-methyl-p-nitroaniline
C7H8N2O2            (Mass of molecular ion:    152)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      15.0       2.9
      18.0       1.7
      26.0       1.2
      27.0       3.2
      28.0       9.7
      30.0       7.8
      37.0       2.3
      38.0       5.6
      39.0      10.7
      40.0       1.6
      41.0       3.0
      42.0       2.8
      46.0       2.7
      50.0      15.0
      51.0      12.3
      52.0       8.2
      53.0       4.9
      54.0       3.3
      55.0       2.6
      61.0       1.8
      62.0       4.4
      63.0      13.0
      64.0      10.4
      65.0      30.3
      66.0       4.9
      67.0       2.9
      68.0       1.5
      73.0       1.0
      74.0       6.4
      75.0       5.0
      76.0      10.2
      77.0      43.2
      78.0      15.4
      79.0      29.3
      80.0       4.1
      90.0       3.9
      91.0       7.3
      92.0       1.6
      93.0       1.5
      94.0      16.0
      95.0       1.1
     104.0      10.1
     105.0      17.8
     106.0      27.8
     107.0       2.5
     120.0       1.5
     122.0      57.6
     123.0       4.7
     136.0       5.3
     150.0       1.9
     151.0       3.7
     152.0     100.0
     153.0      10.2

in CDCl3

400 MHz in DMSO-d6

90 MHz in CDCl3

N-Methyl-4-nitroaniline(100-15-2) MS

¹H NMR	399.65 MHz
C₇ H₈ N₂ O₂	0.033 g : 0.5 ml DMSO-d₆
N-methyl-p-nitroaniline

    Assign.     Shift(ppm)

      A             8.022
      B             7.32
      C             6.615
      D             2.811
     90MHZ:HSP-03-231 IN CDCL3

     Hz     ppm     Int.

   3210.69   8.034    329
   3208.74   8.029    119
   3203.37   8.016    127
   3201.42   8.011    339
   2928.71   7.329     63
   2923.95   7.317     62
   2653.32   6.640     35
   2648.56   6.628    347
   2646.48   6.622    124
   2644.04   6.616     54
   2641.24   6.609    125
   2639.16   6.604    337
   1126.10   2.818   1000
   1120.97   2.805    997

N-Methyl-4-nitroaniline(100-15-2) MS

¹H NMR	89.56 MHz
C₇ H₈ N₂ O₂	0.034 g : 0.5 ml CDCl₃
N-methyl-p-nitroaniline

    Assign.     Shift(ppm)

      A             8.087
      B             6.529
      C             4.7
      D             2.938

     Hz     ppm     Int.

    732.31   8.177     22
    729.13   8.142    233
    727.00   8.118     64
    721.94   8.061     68
    719.81   8.038    257
    716.63   8.002     27
    589.25   6.580    224
    587.06   6.555     61
    582.06   6.500     51
    579.94   6.476    195
    263.13   2.939   1000

in CDCl3

in DMSO-d6