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1077-16-3

己基苯(1077-16-3)核磁图(1HNMR)

产品名称:己基苯

CAS:1077-16-3

分子式:C12H18

分子量: 162.27

InChI:InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3

InChIKey: LTEQMZWBSYACLV-UHFFFAOYSA-N

Smiles:C1(CCCCCC)=CC=CC=C1

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    Mass

    MS-NW-5140          
    hexylbenzene
    C12H18              (Mass of molecular ion:    162)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       5.2
          29.0       5.6
          39.0       5.5
          41.0       7.6
          42.0       1.3
          43.0      16.6
          50.0       1.0
          51.0       3.4
          52.0       1.0
          55.0       3.6
          56.0       1.2
          63.0       1.7
          65.0       8.8
          71.0       2.0
          77.0       4.9
          78.0       6.4
          79.0       3.6
          82.0       1.3
          83.0       2.0
          89.0       1.4
          91.0     100.0
          92.0      95.1
          93.0       7.7
         103.0       2.2
         104.0       2.8
         105.0      11.2
         106.0       1.9
         115.0       1.3
         117.0       1.2
         119.0       2.9
         133.0       5.4
         162.0      33.2
         163.0       4.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H18 0.04 ml : 0.5 ml CDCl3
    hexylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.25 to 7.19 B 2.595 C 1.60 D 1.31 E 0.878

         Hz     ppm     Int.
    

        649.81   7.256    170
        647.50   7.230    134
        645.31   7.206    900
        643.81   7.189   1000
        640.25   7.149    144
        239.75   2.677    117
        232.94   2.601    224
        225.00   2.513    214
        142.00   1.586     95
        116.94   1.306    460
         84.25   0.941    153
         81.56   0.911    132
         81.13   0.906    132
         78.69   0.879    485
         72.81   0.813     98
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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