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Back ChemicalBook Home>CAS DataBase List>98-83-9More Spectrum> 2-Phenyl-1-propene(98-83-9) 1H NMR

2-Phenyl-1-propene(98-83-9) 1H NMR

Product Name2-Phenyl-1-propene

CAS98-83-9

Molecular FormulaC9H10

Molecular Weight118.18

InChIInChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3

InChIKey XYLMUPLGERFSHI-UHFFFAOYSA-N

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


  • Mass

    MS-NW-2072          
    isopropenylbenzene
    C9H10               (Mass of molecular ion:    118)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       2.8
          38.0       1.5
          39.0      10.2
          40.0       1.4
          41.0       1.5
          50.0       4.8
          51.0      13.3
          52.0       3.4
          53.0       1.1
          57.5       2.4
          58.0       3.7
          62.0       1.7
          63.0       4.7
          65.0       4.4
          74.0       2.0
          75.0       1.8
          76.0       2.3
          77.0      19.0
          78.0      28.6
          79.0       2.5
          89.0       2.9
          90.0       1.2
          91.0      16.5
          92.0       1.6
         102.0       4.2
         103.0      45.4
         104.0       4.2
         115.0      15.1
         116.0       3.8
         117.0      63.2
         118.0     100.0
         119.0      10.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H10 9.6 mol% in CDCl3
    isopropenylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.058 B 5.347 C 2.128 D 7.17 to 7.55 J(A,B)=1.6HZ J(A,C)=-1.6HZ J(B,C)=-0.8HZ

         Hz     ppm     Int.
    

        672.44   7.509    112
        671.25   7.495     71
        669.94   7.481     80
        668.56   7.465    141
        667.44   7.453    192
        666.13   7.438     76
        664.81   7.424    209
        663.94   7.414    293
        662.44   7.397    301
        662.00   7.392    378
        659.50   7.364    106
        658.50   7.353    120
        658.00   7.348    108
        657.56   7.343    254
        656.31   7.329    149
        655.44   7.319    127
        654.44   7.308    440
        653.63   7.299    491
        653.19   7.294    281
        651.75   7.278    302
        649.63   7.254    163
        649.19   7.249    229
        648.56   7.242    449
        647.81   7.234    146
        646.50   7.219    493
        645.00   7.202     75
        644.44   7.196     68
        643.50   7.186     54
        642.81   7.178     49
        481.00   5.371     80
        480.19   5.362    224
        479.38   5.353    302
        478.56   5.344    325
        477.75   5.335    265
        476.94   5.326    102
        456.06   5.093     59
        454.56   5.076    215
        453.00   5.059    316
        451.50   5.042    216
        449.94   5.024     64
        191.63   2.140    913
        190.81   2.131   1000
        190.13   2.123    970
        189.31   2.114    915
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



2-Phenyl-1-propene(98-83-9) 1H NMR Atlas of Related Products

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