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网站主页CAS数据库列表 92-85-3更多图谱噻蒽(92-85-3)质谱(MS)

噻蒽

产品名称 噻蒽

CAS号92-85-3

分子式C12H8S2

分子量216.32

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  • Mass

    MS-NW-1965          
    thianthrene
    C12H8S2             (Mass of molecular ion:    216)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.8
          39.0       1.8
          45.0       2.1
          50.0       1.4
          51.0       1.0
          63.0       2.4
          69.0       5.1
          70.0       1.0
          74.0       1.0
          82.0       1.7
          85.0       1.0
          85.5       1.0
          86.0       1.5
          95.0       3.4
          96.0       1.9
         107.0       1.5
         108.0       5.1
         127.0       1.3
         139.0       6.5
         140.0       1.3
         145.0       1.2
         152.0       2.9
         170.0       1.2
         171.0      10.0
         172.0       4.3
         182.0       1.3
         183.0       2.7
         184.0      47.0
         185.0       6.8
         186.0       2.5
         190.0       1.0
         214.0       2.4
         215.0       5.8
         216.0     100.0
         217.0      15.4
         218.0       9.8
         219.0       1.4
    

400 MHz in CDCl3

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 399.65 MHz
    C12 H8 S2 0.023 g : 0.5 ml CDCl3
    thianthrene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.476 B 7.230

         Hz     ppm     Int.
    

       2998.41   7.503     34
       2997.07   7.500     68
       2996.22   7.498     81
       2995.24   7.495     42
       2992.55   7.488    840
       2989.26   7.480    816
       2986.82   7.474    751
       2983.52   7.466   1000
       2979.74   7.456    137
       2977.17   7.450     34
       2899.29   7.255     36
       2897.83   7.251    103
       2897.09   7.250    114
       2893.43   7.240    970
       2890.14   7.232    756
       2887.70   7.226    804
       2884.28   7.218    848
       2880.74   7.209    101
       2879.88   7.207     75
    


  • 1H NMR 89.56 MHz
    C12 H8 S2 0.023 g : 0.5 ml CDCl3
    thianthrene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 B 7.23

         Hz     ppm     Int.
    

        673.94   7.526    530
        671.63   7.500     69
        670.56   7.488    705
        668.69   7.467    425
        667.75   7.456    589
        666.25   7.440    102
        664.63   7.422   1000
        662.13   7.394     81
        660.94   7.380    282
        654.06   7.304    259
        650.19   7.260    973
        648.19   7.238    277
        647.31   7.228    511
        646.44   7.218    459
        644.56   7.197    721
        642.38   7.173     72
        641.06   7.158    533
    


  • 1H NMR 300 MHz
    C12 H8 S2 in CDCl3
    thianthrene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.48 D(B) 7.23 J(A,A') 0.3 J(A,B) 7.9 J(A,B') 1.3 J(A',B) 1.3 J(A',B') 7.9 J(B,B') 7.4 SHRPLESS,N.E. ET AL. ORG.MAGN.RESON. 6, 115 (1974)

         Hz     ppm     Int.
    

       2253.10   7.510     66
       2252.57   7.509     73
       2248.82   7.496    789
       2245.47   7.485    788
       2242.96   7.477    764
       2239.61   7.465    998
       2235.63   7.452    130
       2177.37   7.258    130
       2173.39   7.245   1000
       2170.04   7.233    764
       2167.53   7.225    789
       2164.19   7.214    789
       2160.44   7.201     72
       2159.90   7.200     66
    

in CDCl3



KBr disc



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