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106-53-6

4-溴苯硫酚(106-53-6)質(zhì)譜(MS)

產(chǎn)品名稱:4-溴苯硫酚

CAS:106-53-6

分子式:C6H5BrS

分子量: 189.07

InChI:InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey: FTBCOQFMQSTCQQ-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-3450          
p-bromobenzenethiol
C6H5BrS             (Mass of molecular ion:    188)


       Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          37.0       2.3
      38.0       2.9
      39.0       4.4
      45.0       4.7
      49.0       1.1
      50.0       7.8
      51.0       3.0
      53.0       1.3
      54.0       6.6
      57.0       1.8
      58.0       3.0
      61.0       1.7
      62.0       2.7
      63.0       7.2
      64.0       1.4
      65.0      18.3
      66.0       1.0
      69.0      11.1
      73.0       1.2
      74.0       4.5
      75.0       5.5
      76.0       3.6
      77.0       1.2
      81.0       2.0
      82.0       5.4
      83.0       1.6
      94.0       2.6
      95.0       2.6
     107.0       1.3
     108.0      20.9
     109.0     100.0
     110.0       8.4
     111.0       4.9
     155.0       1.1
     157.0       1.0
     187.0       4.4
     188.0      57.4
     189.0       8.6
     190.0      58.3
     191.0       4.6
     192.0       2.6

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H5 Br S 0.050 g : 0.5 ml CDCl3
    p-bromobenzenethiol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.32
      B             7.13
      C             3.42
  

         Hz     ppm     Int.


        664.13   7.416     41
    661.94   7.392    412
    659.75   7.367    163
    655.44   7.319    242
    653.25   7.294   1000
    651.00   7.269    172
    649.63   7.254     30
    649.06   7.248     29
    643.56   7.186    135
    641.31   7.161    964
    639.13   7.137    240
    637.44   7.118     29
    634.81   7.089    141
    632.63   7.064    384
    630.44   7.040     51
    306.63   3.424    904

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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