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Back ChemicalBook Home>CAS DataBase List>538-93-2More Spectrum> Isobutylbenzene(538-93-2) MS

Isobutylbenzene(538-93-2) MS

Product NameIsobutylbenzene

CAS538-93-2

Molecular FormulaC10H14

Molecular Weight134.22

InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey KXUHSQYYJYAXGZ-UHFFFAOYSA-N

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


  • Mass

    MS-NW-0147          
    isobutylbenzene
    C10H14              (Mass of molecular ion:    134)
    

       Source Temperature: 220 °C
       Sample Temperature:  75 °C
       Reservoir, 75 eV
    

          27.0       4.1
          28.0       1.4
          29.0       1.0
          39.0       7.5
          41.0       7.6
          43.0      13.6
          50.0       1.5
          51.0       4.5
          52.0       1.3
          56.0       1.5
          57.5       1.3
          58.0       1.1
          63.0       3.0
          64.0       1.0
          65.0      11.6
          77.0       3.0
          78.0       2.8
          89.0       2.4
          90.0       1.0
          91.0     100.0
          92.0      62.3
          93.0       4.3
         103.0       1.0
         105.0       1.0
         115.0       2.3
         117.0       1.6
         119.0       1.4
         134.0      26.9
         135.0       2.9
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H14 16.4 mg : 0.5 ml CDCl3
    isobutylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.266 B 7.18 C 7.14 D 2.470 E 1.860 F 0.901 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

       2912.60   7.288     45
       2907.23   7.275     31
       2905.52   7.271    119
       2899.41   7.255     39
       2897.95   7.252     92
       2875.12   7.195     41
       2873.78   7.191     31
       2867.68   7.176     56
       2860.35   7.158     39
       2859.01   7.154    102
       2858.40   7.153     75
       2857.54   7.151    105
       2852.42   7.138     37
       2851.93   7.137     45
       2851.32   7.135     63
       2850.83   7.134     84
       2850.22   7.132     72
       2849.49   7.130     61
        990.97   2.480    140
        983.76   2.462    150
        750.85   1.879     30
        750.49   1.878     31
        743.77   1.862     41
        737.18   1.845     34
        363.40   0.910   1000
        361.08   0.904     38
        359.13   0.899     40
        356.81   0.893    953
        354.49   0.888     37
    

in CDCl3



liquid film





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