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98-06-6

叔丁基苯(98-06-6)红外图谱(IR2)

产品名称:叔丁基苯

CAS:98-06-6

分子式:C10H14

分子量: 134.22

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

InChIKey: YTZKOQUCBOVLHL-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0747          
    tert-butylbenzene
    C10H14              (Mass of molecular ion:    134)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       2.5
          28.0       1.2
          29.0       2.1
          39.0       6.2
          41.0      16.3
          42.0       1.5
          43.0       1.6
          50.0       2.2
          51.0       6.4
          52.0       1.6
          53.0       1.1
          55.0       1.2
          56.0       1.4
          57.0       2.8
          57.5       2.5
          58.0       2.6
          58.5       1.0
          59.5       1.0
          63.0       1.9
          65.0       3.8
          77.0       8.2
          78.0       4.1
          79.0       9.0
          91.0      47.8
          92.0       3.9
         102.0       1.2
         103.0       4.5
         104.0       1.3
         115.0       3.1
         117.0       2.5
         118.0       1.2
         119.0     100.0
         120.0      10.0
         134.0      27.1
         135.0       2.9
         175.0       3.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H14 10.0 mol% in CDCl3
    tert-butylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.310 B 7.01 to 7.46

         Hz     ppm     Int.
    

        664.38   7.419     22
        660.25   7.373     28
        659.19   7.361     35
        658.63   7.355     59
        657.69   7.344     70
        657.19   7.338     66
        656.56   7.331    102
        654.19   7.305     28
        653.13   7.293     29
        651.63   7.276     83
        650.63   7.265    101
        648.44   7.241     31
        645.25   7.205     48
        644.13   7.193     34
        643.56   7.186     27
        642.88   7.179     47
        642.50   7.174     42
        640.69   7.154     42
        636.63   7.109     28
        117.25   1.310   1000
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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