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1078-71-3

庚基苯(1078-71-3)核磁图(1HNMR)

产品名称:庚基苯

CAS:1078-71-3

分子式:C13H20

分子量: 176.3

InChI:InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3

InChIKey: LBNXAWYDQUGHGX-UHFFFAOYSA-N

Smiles:C1(CCCCCCC)=CC=CC=C1

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    Mass

    MS-NW-2713          
    heptylbenzene
    C13H20              (Mass of molecular ion:    176)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       4.1
          28.0       1.8
          29.0       5.0
          39.0       3.9
          41.0       7.9
          42.0       1.1
          43.0      21.6
          51.0       2.1
          55.0       2.9
          56.0       1.6
          57.0       2.6
          63.0       1.0
          65.0       6.1
          77.0       3.6
          78.0       5.5
          79.0       2.9
          85.0       1.3
          91.0      90.0
          92.0     100.0
          93.0       8.1
         103.0       1.8
         104.0       3.3
         105.0      10.5
         106.0       1.8
         117.0       1.2
         119.0       2.2
         133.0       5.2
         134.0       1.3
         176.0      26.6
         177.0       3.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C13 H20 0.04 ml : 0.5 ml CDCl3
    heptylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.39 to 7.02 B 2.59 C 1.60 D 1.48 to 1.05 E 0.88

         Hz     ppm     Int.
    

        657.94   7.347     65
        655.63   7.321     39
        654.63   7.310     43
        652.69   7.288     64
        649.94   7.258    174
        647.75   7.233    146
        645.50   7.208   1000
        644.00   7.191    959
        641.75   7.166    214
        640.50   7.152    160
        639.94   7.146    139
        638.06   7.125    110
        637.44   7.118     84
        636.69   7.110    105
        631.25   7.049     34
        239.75   2.677    111
        236.25   2.638     33
        233.06   2.603    218
        225.00   2.513    210
        142.75   1.594     92
        116.19   1.298    728
         83.81   0.936    154
         78.44   0.876    523
         72.25   0.807    108
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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