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Back ChemicalBook Home>CAS DataBase List>98-82-8More Spectrum> Cumene(98-82-8) 13C NMR

Cumene(98-82-8) 13C NMR

Product NameCumene

CAS98-82-8

Molecular FormulaC9H12

Molecular Weight120.19

InChIInChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey RWGFKTVRMDUZSP-UHFFFAOYSA-N

SmilesC1(C(C)C)=CC=CC=C1


  • Mass

    MS-NW-0138          
    cumene
    C9H12               (Mass of molecular ion:    120)
    

       Source Temperature: 210 °C
       Sample Temperature:  75 °C
       Reservoir, 75 eV
    

          27.0       3.7
          28.0       1.2
          39.0       5.6
          41.0       3.4
          50.0       2.9
          51.0       9.3
          52.0       2.6
          53.0       1.2
          63.0       2.4
          65.0       2.5
          74.0       1.0
          76.0       1.0
          77.0      13.7
          78.0       5.5
          79.0      11.9
          91.0       5.8
         102.0       1.1
         103.0       7.4
         104.0       2.8
         105.0     100.0
         106.0       9.0
         115.0       1.0
         119.0       1.0
         120.0      26.6
         121.0       2.6
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H12 10.6 mol% in CDCl3
    cumene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.240 B 2.876 C 7.02 to 7.39

         Hz     ppm     Int.
    

        651.38   7.274     63
        649.69   7.255    111
        646.44   7.218    558
        644.69   7.199    155
        643.75   7.188    120
        643.06   7.181     67
        642.50   7.174     61
        258.06   2.882     57
        114.31   1.277   1000
        107.44   1.200    862
    


  • 1H NMR 399.65 MHz
    C9 H12 17.5 mg : 0.5 ml CDCl3
    cumene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.289 B 7.231 C 7.179 D 2.901 E 1.253

         Hz     ppm     Int.
    

       2922.24   7.312     40
       2916.50   7.298     34
       2915.65   7.296     74
       2914.92   7.294     99
       2909.42   7.280     37
       2907.71   7.276    104
       2906.01   7.272     31
       2894.41   7.243     91
       2893.92   7.242     98
       2892.58   7.238    133
       2890.63   7.233     35
       2890.14   7.232     32
       2888.18   7.227     44
       2887.33   7.225     38
       2886.72   7.224     42
       2886.11   7.222     71
       2885.50   7.221     69
       2884.64   7.218     57
       2876.10   7.197     32
       2874.76   7.194     43
       2867.68   7.176     65
       1166.87   2.920     32
       1159.91   2.903     44
       1152.95   2.885     34
        504.39   1.263   1000
        502.20   1.257     48
        500.61   1.253     32
        497.56   1.245    975
        495.24   1.240     49
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



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