13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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1077-16-3

己基苯(1077-16-3)核磁圖(13CNMR)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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