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网站主页CAS数据库列表 106-45-6更多图谱4-甲苯硫酚(106-45-6)质谱(MS)

4-甲苯硫酚

产品名称 4-甲苯硫酚

CAS号106-45-6

分子式C7H8S

分子量124.2

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  • Mass

    MS-NW-8668          
    p-toluenethiol
    C7H8S               (Mass of molecular ion:    124)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          27.0       1.8
          38.0       1.6
          39.0       8.0
          45.0      12.3
          50.0       3.0
          51.0       4.9
          52.0       1.4
          53.0       2.3
          58.0       1.3
          61.0       2.0
          62.0       3.9
          63.0       5.7
          64.0       1.1
          65.0       8.2
          69.0       5.7
          70.0       1.3
          71.0       1.9
          77.0       8.5
          78.0       2.9
          79.0      10.2
          80.0       2.4
          82.0       1.3
          84.0       1.6
          89.0       4.5
          90.0       3.8
          91.0     100.0
          92.0       8.1
          93.0       1.1
          95.0       1.2
          97.0       3.0
         108.0       1.9
         109.0       2.1
         121.0       4.1
         122.0       1.1
         123.0      20.9
         124.0      92.6
         125.0       8.9
         126.0       4.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H8 S 0.041 g : 0.5 ml CDCl3
    p-toluenethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.16 B 7.04 C 3.358 D 2.279

         Hz     ppm     Int.
    

        647.00   7.225    152
        646.31   7.217    166
        645.00   7.202     75
        641.06   7.158    126
        638.75   7.133    509
        632.31   7.061    398
        624.19   6.970    119
        621.75   6.943     27
        300.81   3.359    380
        204.19   2.280   1000
    

in CDCl3



KBr disc



liquid film



nujol mull