94-65-5

2-丙基环己酮(94-65-5)核磁图(¹HNMR)

产品名称:2-丙基环己酮

CAS:94-65-5

分子式:C9H16O

分子量: 140.22

InChI:InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3

InChIKey: OCJLPZCBZSCVCO-UHFFFAOYSA-N

Smiles:C1(=O)CCCCC1CCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3592          
2-propylcyclohexanone
C9H16O              (Mass of molecular ion:    140)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       7.8
      28.0       2.0
      29.0       5.9
      39.0       8.3
      40.0       1.7
      41.0      22.7
      42.0      11.5
      43.0       8.7
      53.0       2.8
      54.0       6.6
      55.0      26.1
      56.0      11.0
      57.0       2.4
      67.0       5.1
      68.0       2.0
      69.0      11.2
      70.0      20.2
      71.0       1.6
      79.0       1.4
      81.0       4.8
      83.0      18.2
      84.0       4.2
      93.0       1.2
      96.0       2.4
      97.0      14.6
      98.0     100.0
      99.0       7.7
     111.0       7.2
     140.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ O	0.05 ml : 0.5 ml CDCl₃
2-propylcyclohexanone

    Assign.     Shift(ppm)

      A             2.38
      B             2.32
      C             2.27
      D             2.10
      E             2.02
      F             1.86
      G     *1      1.76
      J             1.68
      K             1.63
      L             1.39
      M             1.30
      N     *1      1.185
      P             0.898
     
     ASSIGNED BY CH-COSY

     Hz     ppm     Int.

    961.06   2.405     63
    959.72   2.402     58
    956.67   2.394     59
    955.32   2.391     78
    952.03   2.383     71
    950.68   2.379     72
    947.75   2.372    175
    946.29   2.368    128
    943.12   2.360    105
    942.02   2.358     97
    932.98   2.335     58
    928.47   2.324     73
    927.25   2.321     80
    923.58   2.311    104
    922.49   2.309    113
    921.02   2.305     81
    916.99   2.295    136
    915.28   2.291     94
    913.57   2.286     88
    912.23   2.283    114
    906.86   2.270     83
    905.88   2.267     90
    850.34   2.128     56
    848.51   2.124     55
    840.58   2.104     58
    837.28   2.096     54
    835.21   2.090     68
    813.84   2.037     57
    813.11   2.035     59
    809.45   2.026     65
    808.11   2.023     78
    807.13   2.020     67
    805.42   2.016     55
    803.71   2.012     55
    802.98   2.010     55
    745.12   1.865     78
    743.65   1.861     59
    740.72   1.854     77
    739.26   1.850     56
    735.35   1.840     67
    715.45   1.791     76
    708.74   1.774     65
    706.05   1.767     88
    701.78   1.756     73
    699.95   1.752     88
    694.95   1.739     61
    693.24   1.735     88
    686.52   1.718     95
    681.64   1.706     77
    680.42   1.703     70
    678.83   1.699     76
    677.98   1.697     68
    676.76   1.694     83
    675.54   1.691     94
    674.80   1.689     82
    672.61   1.683    113
    671.63   1.681    113
    670.17   1.677    133
    668.95   1.674    148
    666.38   1.668    105
    664.31   1.663     63
    662.48   1.658     61
    660.77   1.654     66
    658.94   1.649     98
    657.10   1.645     62
    655.52   1.641     74
    652.83   1.634     74
    649.54   1.626     58
    562.99   1.409     69
    561.16   1.405     55
    559.33   1.400     61
    549.80   1.376     68
    546.02   1.367     57
    532.96   1.334     73
    529.79   1.326     84
    526.49   1.318     91
    525.39   1.315     96
    524.66   1.313     99
    522.58   1.308    131
    520.63   1.303     95
    519.04   1.299     95
    517.09   1.294    135
    515.26   1.290    115
    514.28   1.287    117
    513.55   1.285    104
    509.89   1.276    106
    507.32   1.270    108
    500.37   1.253     58
    488.04   1.222     75
    481.45   1.205     87
    474.85   1.189     84
    473.39   1.185     75
    468.51   1.173     93
    466.06   1.167     75
    459.35   1.150     68
    365.84   0.916    584
    358.52   0.898   1000
    351.32   0.880    498

in CDCl3