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4-Nitrotoluene

Product Name 4-Nitrotoluene

CAS99-99-0

MFC7H7NO2

MW137.14

¹³CNMR

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

    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

    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