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网站主页CAS数据库列表 95-15-8更多图谱苯并噻吩(95-15-8)核磁图(1HNMR)

苯并噻吩

产品名称 苯并噻吩

CAS号95-15-8

分子式C8H6S

分子量134.2

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  • Mass

    MS-NW-8776          
    benzo(b)thiophene
    C8H6S               (Mass of molecular ion:    134)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       2.5
          45.0       3.0
          50.0       1.8
          51.0       1.9
          58.0       1.4
          62.0       1.9
          63.0       5.0
          67.0       6.6
          69.0       4.7
          74.0       1.5
          75.0       1.5
          82.0       1.7
          84.0       1.2
          89.0      10.2
          90.0       9.8
          93.0       1.1
         102.0       2.1
         108.0       4.1
         133.0       3.7
         134.0     100.0
         135.0       9.8
         136.0       4.8
    

parameter in CDCl3

400 MHz in CDCl3


  • 1H NMR 300 MHz
    C8 H6 S in CDCl3
    benzo(b)thiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.825 D(B) 7.362 D(C) 7.337 D(D) 7.881 D(E) 7.437 D(F) 7.342 J(A,B) 8.03 J(A,C) 1.1 J(A,D) 0.87 J(A,E) 0.0 J(A,F) 0.0 J(B,C) 7.2 J(B,D) 1.0 J(B,E) 0.0 J(B,F) 0.0 J(C,D) 8.01 J(C,E) 0.0 J(C,F) 0.0 J(D,E) 0.75 J(D,F) 0.0 J(E,F) 5.5 EWING,D.F. & SCROWSTON,R.M. ORG.MAGN.RESON. 3, 405 (1971)

         Hz     ppm     Int.
    

       2373.09   7.910     14
       2372.41   7.908     15
       2368.89   7.896    170
       2368.12   7.894    177
       2365.92   7.886     90
       2365.23   7.884     88
       2362.13   7.874    162
       2360.68   7.869    124
       2359.90   7.866    181
       2359.18   7.864    118
       2356.84   7.856     31
       2355.53   7.852     25
       2354.84   7.849     26
       2352.59   7.842    165
       2351.76   7.839    159
       2349.79   7.833    201
       2346.45   7.821    144
       2344.26   7.814    179
       2343.48   7.812    208
       2342.63   7.809    176
       2339.25   7.797     25
       2234.45   7.448    280
       2233.78   7.446    278
       2228.95   7.430    408
       2228.28   7.428    406
       2218.06   7.394     54
       2216.44   7.388     91
       2210.88   7.370    275
       2209.21   7.364    276
       2207.68   7.359    296
       2204.97   7.350   1000
       2201.79   7.339    273
       2199.60   7.332    546
       2198.66   7.329    304
       2193.10   7.310     80
       2191.43   7.305     48
    


  • 1H NMR 399.65 MHz
    C8 H6 S 21.8 mg : 0.5 ml CDCl3
    benzo(b)thiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.878 B 7.818 C 7.422 D 7.36 E 7.33 F 7.33 J(C,E)=5.4HZ. J(A,E)=0.9HZ.

         Hz     ppm     Int.
    

       3153.93   7.892    238
       3153.20   7.890    405
       3152.47   7.889    406
       3151.61   7.886    268
       3150.88   7.885    244
       3150.02   7.882    218
       3148.19   7.878     44
       3146.24   7.873    416
       3145.39   7.871    413
       3144.78   7.869    303
       3143.92   7.867    449
       3143.19   7.865    266
       3140.38   7.858     31
       3129.39   7.831    324
       3128.78   7.829    320
       3127.20   7.825    546
       3122.56   7.814    278
       3121.09   7.810    351
       3120.24   7.808    389
       3119.63   7.806    342
       2969.60   7.431    751
       2969.24   7.430    765
       2966.31   7.423     68
       2963.87   7.417   1000
       2961.30   7.410     57
       2949.46   7.381    186
       2948.00   7.377    280
       2946.29   7.373     41
       2944.95   7.369     41
       2944.46   7.368     38
       2942.38   7.363    653
       2940.92   7.359    616
       2939.09   7.355     80
       2937.50   7.351    460
       2937.01   7.349    407
       2935.55   7.346    815
       2935.06   7.345    665
       2933.35   7.340    623
       2931.88   7.337    844
       2931.03   7.334    823
       2929.81   7.331    499
       2929.32   7.330    400
       2928.22   7.327    471
       2927.73   7.326    428
       2926.39   7.323    637
       2925.54   7.321    591
       2922.73   7.314    192
       2922.24   7.312    180
       2921.14   7.310    135
       2920.65   7.309    123
    

in CDCl3



KBr disc



liquid film



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