图谱信息 供应商 相关产品
网站主页CAS数据库列表 104-85-8更多图谱对甲苯腈(104-85-8)核磁图(13CNMR)

对甲苯腈

产品名称 对甲苯腈

CAS号104-85-8

分子式C8H7N

分子量117.15

展开


  • 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


  • 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



liquid film



4880 A,200 M,liquid



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