98-83-9

2-苯基-1-丙烯(98-83-9)紅外圖譜(IR2)

產(chǎn)品名稱:2-苯基-1-丙烯

CAS:98-83-9

分子式:C9H10

分子量: 118.18

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

InChIKey: XYLMUPLGERFSHI-UHFFFAOYSA-N

Smiles:C1(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

    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