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100-15-2

N-甲基对硝基苯胺(100-15-2)红外图谱(IR1)

分子式:C7H8N2O2

分子量: 152.15

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

InChIKey: XIFJZJPMHNUGRA-UHFFFAOYSA-N

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

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    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
    

400 MHz in DMSO-d6

90 MHz in CDCl3

in CDCl3

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

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

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in DMSO-d6

in CDCl3

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KBr disc

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nujol mull

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