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106-45-6

4-甲苯硫酚(106-45-6)質(zhì)譜(MS)

產(chǎn)品名稱:4-甲苯硫酚

CAS:106-45-6

分子式:C7H8S

分子量: 124.2

InChI:InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

InChIKey: WLHCBQAPPJAULW-UHFFFAOYSA-N

Smiles:C1(S)=CC=C(C)C=C1

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

liquid film

  • 圖譜

nujol mull

  • 圖譜

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