1,4-二環(huán)己基苯(1087-02-1)質(zhì)譜(MS)

產(chǎn)品名稱:1,4-二環(huán)己基苯

CAS:1087-02-1

分子式:C18H26

分子量: 242.4

InChI:InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2

InChIKey: QQFSIGWYINAJOB-UHFFFAOYSA-N

Smiles:C1(C2CCCCC2)=CC=C(C2CCCCC2)C=C1

Mass

MS-NW-1266          
p-dicyclohexylbenzene
C18H26              (Mass of molecular ion:    242)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       2.4
      29.0       4.4
      39.0       3.4
      41.0      15.6
      43.0       1.8
      51.0       1.0
      53.0       2.5
      55.0      27.3
      56.0       1.6
      65.0       1.8
      67.0       4.3
      69.0       1.4
      77.0       2.9
      78.0       1.3
      79.0       2.1
      81.0       8.9
      82.0       3.4
      83.0      38.6
      84.0       2.5
      91.0      43.8
      92.0       5.6
      93.0       1.1
     103.0       1.6
     104.0       6.8
     105.0       4.6
     115.0       9.0
     116.0       3.2
     117.0      62.1
     118.0       7.5
     127.0       2.4
     128.0       8.8
     129.0      20.6
     130.0       8.9
     131.0       6.7
     141.0       2.7
     142.0       1.6
     143.0       9.3
     144.0       2.0
     145.0       1.1
     155.0       1.3
     157.0       2.5
     158.0       4.0
     159.0      62.4
     160.0      12.6
     161.0       1.0
     173.0      11.2
     174.0       2.0
     186.0      13.7
     187.0       2.7
     199.0       5.3
     200.0       2.0
     227.0       2.6
     242.0     100.0
     243.0      19.7
     244.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₂₆	13.0 mg : 0.5 ml CDCl₃
p-dicyclohexylbenzene

    Assign.     Shift(ppm)

      A             7.126
      B             2.459
      C          1.91 to 1.780
      D             1.733
      E          1.46 to 1.310
      F             1.242

     Hz     ppm     Int.

   2847.78   7.126   1000
    983.52   2.461     34
    751.95   1.882     49
    750.00   1.877     49
    748.17   1.873     49
    747.07   1.870     50
    743.53   1.861     74
    742.68   1.859     74
    742.31   1.858     74
    739.75   1.851     59
    734.99   1.840     64
    734.01   1.837     61
    732.30   1.833     77
    730.22   1.828     60
    729.74   1.826     61
    726.44   1.818     60
    723.88   1.812     50
    723.63   1.811     50
    722.53   1.808     51
    698.85   1.749     32
    687.87   1.722     31
    686.40   1.718     33
    685.06   1.715     33
    568.48   1.423     49
    567.38   1.420     48
    566.04   1.417     50
    559.45   1.400     79
    558.59   1.398     79
    555.30   1.390    114
    551.03   1.379     90
    546.51   1.368     47
    545.53   1.366     53
    544.31   1.362     47
    542.11   1.357     57
    539.31   1.350     37

in CDCl3