1-Phenyl-1-cyclohexene(771-98-2) MS

Product Name1-Phenyl-1-cyclohexene

CAS 771-98-2

Molecular FormulaC12H14

Molecular Weight158.24

InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2

InChIKey WCMSFBRREKZZFL-UHFFFAOYSA-N

SmilesC1(C2CCCCC=2)=CC=CC=C1

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Mass

MS-IW-9461          
(1-cyclohexenyl)benzene
C12H14              (Mass of molecular ion:    158)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       7.0
      28.0       1.1
      29.0       1.9
      39.0      12.7
      40.0       1.0
      41.0       5.3
      50.0       5.1
      51.0      16.4
      52.0       4.7
      53.0       4.0
      55.0       1.1
      57.5       2.2
      62.0       2.3
      63.0       9.4
      64.0       6.9
      64.5       1.1
      65.0      10.4
      66.0       3.6
      67.0      13.3
      70.0       1.5
      70.5       4.6
      71.0       1.8
      71.5       2.5
      74.0       2.8
      75.0       3.7
      76.0       8.5
      76.5       1.0
      77.0      20.8
      78.0       8.6
      79.0      11.5
      80.0      13.3
      81.0       2.9
      87.0       1.5
      89.0       5.3
      91.0      40.0
      92.0       4.3
     101.0       1.3
     102.0       9.5
     103.0       6.9
     104.0      18.8
     105.0       3.5
     114.0       1.1
     115.0      60.3
     116.0      11.6
     117.0      22.8
     118.0       3.0
     126.0       1.8
     127.0      11.5
     128.0      36.8
     129.0      94.4
     130.0      86.2
     131.0       9.8
     139.0       1.5
     141.0       8.7
     142.0       6.1
     143.0      58.5
     144.0       7.7
     145.0       3.8
     151.0       1.5
     152.0       4.8
     153.0       5.6
     154.0       9.8
     155.0       3.8
     156.0       2.8
     157.0      12.7
     158.0     100.0
     159.0      13.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₄	0.05 ml : 0.5 ml CDCl₃
(1-cyclohexenyl)benzene

    Assign.     Shift(ppm)

      A             7.351
      B             7.264
      C             7.176
      D             6.095
      E             2.38
      F             2.18
      G             1.75
      J             1.64

     Hz     ppm     Int.

   2949.10   7.380     51
   2947.39   7.375     72
   2943.60   7.366    572
   2942.14   7.362    759
   2940.19   7.357    277
   2935.06   7.345    921
   2934.08   7.342    912
   2910.89   7.284    604
   2909.06   7.280    252
   2907.10   7.275    110
   2903.56   7.266   1000
   2902.22   7.262    515
   2897.34   7.250    287
   2895.75   7.246    546
   2893.92   7.242    127
   2875.00   7.194    230
   2873.66   7.191    386
   2872.44   7.188    225
   2870.36   7.183     42
   2868.53   7.178    169
   2866.46   7.173    472
   2864.38   7.168    149
   2860.47   7.158    110
   2859.13   7.155    180
   2857.91   7.152    102
   2441.77   6.110    153
   2440.06   6.106    274
   2437.87   6.101    331
   2436.04   6.096    504
   2434.33   6.092    330
   2432.01   6.086    262
   2430.42   6.082    144
    961.67   2.407    133
    959.11   2.400    293
    957.28   2.396    315
    955.44   2.391    330
    953.00   2.385    533
    951.17   2.381    533
    948.85   2.375    344
    946.78   2.370    318
    945.07   2.365    303
    942.50   2.359    152
    880.98   2.205    138
    878.42   2.198    233
    876.83   2.194    196
    874.63   2.189    423
    872.19   2.183    504
    870.73   2.179    355
    868.29   2.173    508
    865.84   2.167    378
    862.06   2.158    228
    859.62   2.151    103
    712.04   1.782    191
    708.86   1.774    166
    706.05   1.767    430
    702.88   1.759    358
    700.44   1.753    594
    696.90   1.744    362
    694.46   1.738    564
    690.67   1.729    162
    688.23   1.723    244
    664.18   1.662    267
    661.74   1.656    184
    658.08   1.647    635
    655.64   1.641    367
    652.10   1.632    567
    649.66   1.626    338
    646.48   1.618    376
    643.55   1.611    136
    640.50   1.603    131

in CDCl3