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网站主页CAS数据库列表 99-99-0更多图谱对硝基甲苯(99-99-0)红外图谱(IR1)

对硝基甲苯

产品名称 对硝基甲苯

CAS号99-99-0

分子式C7H7NO2

分子量137.14

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  • Mass

    MS-NW-6817          
    p-nitrotoluene
    C7H7NO2             (Mass of molecular ion:    137)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       2.7
          28.0       2.3
          30.0       5.1
          37.0       1.6
          38.0       3.2
          39.0      21.2
          40.0       1.5
          41.0       5.5
          50.0       6.7
          51.0       9.5
          52.0       2.9
          53.0       2.3
          61.0       1.9
          62.0       5.0
          63.0      13.7
          64.0       3.8
          65.0      57.8
          66.0       3.4
          74.0       1.9
          75.0       1.6
          77.0      11.8
          78.0       2.8
          79.0      12.4
          86.0       1.3
          87.0       1.1
          89.0      10.2
          90.0       4.1
          91.0     100.0
          92.0       8.0
         106.0       1.2
         107.0      20.4
         108.0       1.7
         121.0       1.9
         137.0      75.7
         138.0       6.3
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C7 H7 N O2 0.040 g : 0.5 ml CDCl3
    p-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.098 B 7.312 C 2.462

         Hz     ppm     Int.
    

        732.81   8.183     32
        730.13   8.153    261
        728.38   8.133    101
        723.44   8.078     99
        721.56   8.057    344
        719.19   8.031     60
        661.88   7.391     36
        661.13   7.382     43
        659.50   7.364    263
        658.81   7.357    285
        658.13   7.349    175
        657.38   7.341    110
        656.69   7.333     84
        652.63   7.288     75
        652.00   7.281    102
        650.63   7.265    237
        649.94   7.258    194
        648.19   7.238     40
        647.63   7.232     33
        220.50   2.463   1000
    


  • 1H NMR 300 MHz
    C7 H7 N O2 5.1 mol% in CCl4
    p-nitrotoluene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.269 D(B) 8.046 J(A,A') 1.96 J(A,B) 8.43 J(A,B') 0.39 J(A',B) 0.39 J(A',B') 8.43 J(B,B') 2.55 D(C) 2.460 YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972) SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS

         Hz     ppm     Int.
    

       2420.76   8.069     26
       2418.30   8.061    210
       2416.27   8.054     72
       2411.51   8.038     75
       2409.53   8.032    228
       2407.07   8.024     29
       2187.48   7.292     29
       2185.03   7.283    228
       2183.04   7.277     75
       2178.29   7.261     72
       2176.25   7.254    210
       2173.79   7.246     26
        738.02   2.460   1000
    

in CDCl3



CCl4 solution



KBr disc



4880 A,150M,powder



REACTION WITH TERT-BUTYL-MGCL

ANION RADICAL, ELECTROLYTIC REDUCTION

ANION RADICAL, ADDITION OF K-T-BUTOXIDE