3748-13-8

1,3-二(1-甲基乙烯基)苯(3748-13-8)红外图谱(IR1)

产品名称:1,3-二(1-甲基乙烯基)苯

CAS:3748-13-8

分子式:C12H14

分子量: 158.24

InChI:InChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3

InChIKey: IBVPVTPPYGGAEL-UHFFFAOYSA-N

Smiles:C1(C(C)=C)=CC=CC(C(C)=C)=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9783          
m-diisopropenylbenzene
C12H14              (Mass of molecular ion:    158)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       5.5
      32.0       1.4
      39.0       2.8
      41.0       2.6
      51.0       2.8
      63.0       2.3
      64.0       2.3
      65.0       2.5
      75.0       1.0
      76.0       1.5
      77.0       3.9
      78.0       2.4
      79.0       1.1
      89.0       1.4
      91.0       4.2
     102.0       1.6
     103.0       4.0
     115.0      12.9
     116.0       3.5
     117.0      14.1
     118.0      13.0
     119.0       1.3
     127.0       5.2
     128.0      26.1
     129.0       9.0
     130.0       1.6
     131.0       1.3
     141.0       5.5
     142.0       5.7
     143.0      27.4
     144.0       3.5
     157.0       3.3
     158.0     100.0
     159.0      13.6
     160.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₄	0.05 ml : 0.5 ml CDCl₃
m-diisopropenylbenzene

    Assign.     Shift(ppm)

      A             7.545
      B             7.343
      C             7.260
      D             5.360
      E             5.076
      F             2.147
     
     J(D,E)=1.6HZ
     J(D,F)=-0.9HZ
     J(E,F)=-1.5HZ

     Hz     ppm     Int.

   3016.97   7.550    100
   3015.14   7.545    192
   3013.67   7.541    120
   2940.92   7.359    116
   2939.82   7.356    142
   2939.21   7.355    138
   2937.99   7.352    133
   2932.50   7.338    226
   2930.66   7.334    242
   2907.59   7.276    139
   2907.10   7.275    148
   2900.76   7.259    103
   2900.39   7.258    107
   2899.05   7.254     94
   2898.56   7.253     93
   2892.21   7.237     66
   2891.85   7.236     68
   2143.07   5.363    244
   2142.21   5.361    321
   2141.48   5.359    346
   2140.63   5.357    310
   2031.37   5.083     88
   2029.79   5.079    261
   2028.32   5.076    378
   2026.73   5.072    298
   2025.27   5.068    110
    858.64   2.149    666
    857.79   2.147    768
    857.06   2.145    870
    856.20   2.143   1000

in CDCl3