1,4-DIISOPROPYLBENZENE(100-18-5) MS

Product Name1,4-DIISOPROPYLBENZENE

CAS 100-18-5

Molecular FormulaC12H18

Molecular Weight162.27

InChIInChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3

InChIKey SPPWGCYEYAMHDT-UHFFFAOYSA-N

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

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Mass

MS-NW-5715          
p-diisopropylbenzene
C12H18              (Mass of molecular ion:    162)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.2
      39.0       3.7
      41.0       9.3
      43.0      19.2
      50.0       1.1
      51.0       3.5
      53.0       1.7
      55.0       1.4
      63.0       1.9
      64.0       1.8
      65.0       3.5
      65.5       1.2
      66.0       2.1
      77.0       5.5
      78.0       2.0
      79.0       3.9
      91.0      19.2
      92.0       1.9
     103.0       3.1
     104.0       1.7
     105.0      21.8
     106.0       2.4
     115.0       4.0
     116.0       2.4
     117.0       7.5
     118.0       1.7
     119.0      30.8
     120.0       3.2
     127.0       1.0
     128.0       2.7
     129.0       1.7
     131.0       5.0
     132.0       4.9
     133.0       1.6
     145.0       4.9
     146.0       1.4
     147.0     100.0
     148.0      12.4
     159.0       1.0
     160.0       1.5
     162.0      33.1
     163.0       4.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₈	0.04 ml : 0.5 ml CDCl₃
p-diisopropylbenzene

    Assign.     Shift(ppm)

      A             7.147
      B             2.863
      C             1.242

     Hz     ppm     Int.

    640.13   7.148    933
    264.38   2.952     43
    257.50   2.876     59
    250.50   2.798     51
    243.81   2.723     26
    114.38   1.278   1000
    112.31   1.255     46
    109.56   1.224     28
    107.50   1.201    863
    105.38   1.177     40

in CDCl3