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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>3773-14-6更多圖譜> 2,4,5-三氯苯硫醇(3773-14-6)紅外圖譜(IR1)

3773-14-6

2,4,5-三氯苯硫醇(3773-14-6)紅外圖譜(IR1)

產(chǎn)品名稱:2,4,5-三氯苯硫醇

CAS:3773-14-6

分子式:C6H3Cl3S

分子量: 213.51

InChI:InChI=1S/C6H3Cl3S/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

InChIKey: JARIALSGFXECCH-UHFFFAOYSA-N

Smiles:C1(S)=CC(Cl)=C(Cl)C=C1Cl

  • 圖譜
    Mass

    MS-NW-1387          
    2,4,5-trichlorobenzenethiol
    C6H3Cl3S            (Mass of molecular ion:    212)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.5
          35.0       1.1
          36.0       2.6
          37.0       4.8
          38.0       1.3
          44.0       1.9
          45.0       6.7
          47.0       1.5
          49.0       1.9
          50.0       2.0
          52.5       2.6
          53.0       3.3
          57.0       1.8
          58.0       1.0
          60.0       2.0
          61.0       7.2
          62.0       8.3
          63.0       3.1
          68.0       1.6
          69.0      15.3
          70.0       4.2
          70.5       1.7
          71.0       5.6
          72.0       3.8
          73.0       5.8
          74.0       6.7
          75.0       1.2
          79.0      10.9
          81.0       5.9
          82.0       2.2
          83.0       1.8
          84.0       3.2
          85.0       1.2
          86.0       1.1
          88.0       8.7
          88.5       2.8
          89.0       6.1
          89.5       2.0
          90.0       1.4
          91.0       1.2
          92.0       1.8
          93.0       3.1
          95.0       1.0
          96.0       2.2
          97.0      11.5
          98.0       1.3
          99.0       3.6
         103.0       3.5
         105.0       5.9
         106.0      10.8
         107.0       9.3
         108.0       5.1
         109.0       5.1
         110.0       1.3
         111.0       1.3
         115.0       1.0
         116.0       3.0
         118.0       2.1
         131.0       1.4
         133.0       5.5
         135.0       3.3
         140.0       2.1
         141.0      13.9
         142.0      29.4
         143.0       9.2
         144.0      12.0
         145.0       2.5
         146.0       1.4
         152.0       2.3
         154.0       1.4
         167.0       2.4
         168.0       1.8
         169.0       2.4
         170.0       1.6
         176.0      28.9
         177.0      82.1
         178.0      26.1
         179.0      58.1
         180.0      11.2
         181.0      12.3
         182.0       4.2
         183.0       1.0
         184.0       1.1
         211.0       6.3
         212.0     100.0
         213.0      13.5
         214.0      99.5
         215.0       9.2
         216.0      34.9
         217.0       2.7
         218.0       4.9
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H3 Cl3 S 0.047 g : 0.5 ml CDCl3
    2,4,5-trichlorobenzenethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.453 B 7.416 C 3.918

         Hz     ppm     Int.
    

        667.31   7.451    958
        664.25   7.417   1000
        657.25   7.339     28
        656.25   7.328     25
        655.69   7.322     25
        353.19   3.944     39
        350.19   3.911    993
        347.13   3.876     57
        344.94   3.852     24
    

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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