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135-98-8

仲丁基苯(135-98-8)质谱(MS)

产品名称:仲丁基苯

CAS:135-98-8

分子式:C10H14

分子量: 134.22

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

InChIKey: ZJMWRROPUADPEA-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4626          
    sec-butylbenzene
    C10H14              (Mass of molecular ion:    134)
    

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

          27.0       3.4
          29.0       1.7
          39.0       3.3
          41.0       2.7
          50.0       1.5
          51.0       4.6
          52.0       1.1
          53.0       1.0
          63.0       1.4
          65.0       2.2
          77.0       9.7
          78.0       3.3
          79.0       7.8
          91.0      13.9
          92.0       1.2
         103.0       5.3
         104.0       2.8
         105.0     100.0
         106.0       9.2
         115.0       1.5
         117.0       1.6
         119.0       2.2
         134.0      18.0
         135.0       2.0
         161.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H14 0.022 g : 0.5 ml CDCl3
    sec-butylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.43 to 7.01 B 2.58 C 1.58 D 1.237 E 0.82

         Hz     ppm     Int.
    

        659.75   7.367     54
        657.25   7.339     34
        656.44   7.330     30
        654.38   7.307     51
        652.19   7.283    141
        649.31   7.251    117
        647.00   7.225    660
        645.38   7.207    482
        644.69   7.199    607
        642.63   7.176    149
        640.94   7.157    110
        638.88   7.134     95
        638.38   7.128     78
        637.56   7.119     82
        636.25   7.105     33
        635.56   7.097     31
        242.56   2.709     38
        235.56   2.631     78
        228.63   2.553     87
        221.50   2.474     52
        158.19   1.767     34
        157.19   1.756     35
        151.38   1.691     59
        149.88   1.674    146
        145.69   1.627     43
        144.56   1.615     40
        143.31   1.601    142
        142.50   1.592    230
        136.25   1.522     93
        135.50   1.513    233
        129.06   1.442     56
        128.25   1.433     59
        113.88   1.272   1000
        111.81   1.249     54
        107.00   1.195    834
        104.94   1.172     45
         80.44   0.899    298
         79.88   0.892    205
         73.44   0.821    528
         72.88   0.814    366
         65.88   0.736    182
         65.00   0.726    111
    

in CDCl3

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liquid film

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