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104-51-8

丁苯(104-51-8)Raman光谱

产品名称:丁苯

CAS:104-51-8

分子式:C10H14

分子量: 134.22

InChI:InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

InChIKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N

Smiles:C1(CCCC)=CC=CC=C1

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    Mass

    MS-NW-0144          
    butylbenzene
    C10H14              (Mass of molecular ion:    134)
    

       Source Temperature: 210 °C
       Sample Temperature:  75 °C
       Reservoir, 75 eV
    

          27.0       5.9
          28.0       1.0
          29.0       2.2
          39.0       7.5
          41.0       4.3
          43.0       2.2
          50.0       2.0
          51.0       6.2
          52.0       1.6
          53.0       1.0
          63.0       3.2
          65.0      12.5
          77.0       6.5
          78.0       6.8
          79.0       3.6
          89.0       2.4
          90.0       1.0
          91.0     100.0
          92.0      59.7
          93.0       4.3
         103.0       2.8
         104.0       2.2
         105.0       9.3
         106.0       1.3
         115.0       1.5
         119.0       1.1
         134.0      26.3
         135.0       2.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H14 16.0 mg : 0.5 ml CDCl3
    butylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.268 B 7.18 C 7.17 D 2.606 E 1.596 F 1.355 G 0.925

         Hz     ppm     Int.
    

       2913.94   7.292    122
       2912.23   7.287     52
       2909.67   7.281     43
       2906.74   7.274    216
       2905.76   7.271    276
       2903.08   7.265     33
       2901.61   7.261     81
       2899.17   7.255    268
       2897.46   7.250     70
       2872.80   7.189    499
       2870.24   7.182    109
       2865.60   7.171    370
       2859.13   7.155     56
       2857.79   7.151     69
       2856.32   7.148     36
       1049.56   2.627    187
       1041.87   2.607    245
       1034.06   2.588    204
        654.17   1.637     62
        648.07   1.622     83
        646.73   1.619    123
        644.65   1.614     88
        640.99   1.604     94
        639.04   1.599    220
        636.35   1.593    100
        632.57   1.583     96
        631.35   1.580    152
        629.88   1.577     75
        629.15   1.575     73
        623.66   1.561     84
        560.30   1.402     39
        552.86   1.384    125
        545.41   1.365    177
        540.16   1.352     53
        537.72   1.346    181
        530.52   1.328    121
        523.19   1.310     41
        376.83   0.943    470
        374.39   0.937     31
        369.51   0.925   1000
        364.62   0.913     36
        362.18   0.907    404
    

in CDCl3

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liquid film

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