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104-85-8

p-Tolunitrile

Product Name p-Tolunitrile

CAS104-85-8

MFC8H7N

MW117.15

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  • 104-85-8_ms
    Mass 

    MS-NW-0881          
p-tolunitrile
C8H7N               (Mass of molecular ion:    117)


       Source Temperature: 290 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          27.0       2.7
      37.0       2.6
      38.0       3.6
      39.0      10.4
      41.0       1.1
      50.0       5.2
      51.0       5.6
      52.0       2.0
      61.0       2.5
      62.0       4.8
      63.0      10.6
      64.0       5.3
      65.0       2.6
      74.0       1.3
      75.0       2.6
      76.0       2.3
      77.0       1.1
      87.0       1.6
      88.0       2.7
      89.0      19.5
      90.0      30.1
      91.0       4.9
     114.0       1.1
     115.0       1.6
     116.0      57.7
     117.0     100.0
     118.0       9.2

parameter in CDCl3

  • 104-85-8_1hnmr

    1H NMR 300 MHz
    C8 H7 N 5.1 mol% in CCl4
    p-tolunitrile
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         7.225
      D(B)         7.465
       J(A,A')         1.92
       J(A,B)          7.93
       J(A,B')         0.56
       J(A',B)         0.56
       J(A',B')        7.93
       J(B,B')         1.79
     
      D(C)         2.41
     
     YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972)
     SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS
  

         Hz     ppm     Int.


       2245.73   7.486     29
   2243.94   7.480    173
   2242.06   7.474     69
   2237.49   7.458     77
   2235.52   7.452    220
   2233.82   7.446     40
   2173.21   7.244     40
   2171.52   7.238    222
   2169.54   7.232     77
   2164.98   7.217     69
   2163.10   7.210    172
   2161.35   7.204     29
    722.98   2.410   1000

in CDCl3

  • 104-85-8_13cnmr

liquid film

  • 104-85-8_ir1

4880 A,200 M,liquid

  • 104-85-8_raman

ANION RADICAL, RED. WITH ALKALI METAL IN DME-THF

  • 104-85-8_esr_0

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