1444-65-1

2-苯基環(huán)已酮(1444-65-1)紅外圖譜(IR1)

產(chǎn)品名稱:2-苯基環(huán)已酮

CAS:1444-65-1

分子式:C12H14O

分子量: 174.24

InChI:InChI=1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

InChIKey: DRLVMOAWNVOSPE-UHFFFAOYSA-N

Smiles:C1(=O)CCCCC1C1=CC=CC=C1

Mass

MS-NW-6741          
2-phenylcyclohexanone
C12H14O             (Mass of molecular ion:    174)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.7
      28.0       1.0
      29.0       1.4
      39.0       8.8
      40.0       1.1
      41.0       4.5
      42.0       2.6
      50.0       2.9
      51.0       7.6
      52.0       2.1
      53.0       1.4
      55.0       4.2
      62.0       1.3
      63.0       4.5
      64.0       1.7
      65.0       5.1
      67.0       1.7
      68.0       2.5
      74.0       1.0
      75.0       1.1
      76.0       1.3
      77.0      10.5
      78.0       9.0
      79.0       1.8
      89.0       4.0
      90.0       2.2
      91.0      28.0
      92.0       7.2
     102.0       2.0
     103.0       8.9
     104.0      31.9
     105.0      12.7
     106.0       1.1
     115.0      12.9
     116.0       4.0
     117.0      46.2
     118.0      10.0
     120.0       2.2
     128.0       1.9
     129.0       8.7
     130.0     100.0
     131.0      14.3
     132.0       1.3
     145.0       1.6
     146.0       1.4
     174.0      48.6
     175.0       6.6
     176.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₄ O	0.040 g : 0.5 ml CDCl₃
2-phenylcyclohexanone

    Assign.     Shift(ppm)

      A             7.324
      B             7.249
      C             7.132
      D             3.601
      E             2.47
      F     *1      2.25
      G     *1      2.14
      J     *1      2.01
      K     *1      1.82
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   2936.77   7.349    253
   2935.67   7.346    431
   2934.20   7.342    234
   2930.30   7.333    284
   2928.59   7.328   1000
   2927.25   7.325    650
   2922.49   7.313    350
   2921.14   7.310    742
   2920.53   7.308    658
   2919.07   7.305    258
   2904.54   7.268    225
   2903.20   7.265    449
   2901.86   7.262    331
   2895.63   7.246    516
   2893.43   7.240    207
   2888.43   7.228    209
   2855.47   7.145    676
   2854.13   7.142    930
   2852.42   7.138    345
   2848.51   7.128    409
   2847.17   7.125    714
   2846.44   7.123    675
   1447.75   3.623    203
   1442.38   3.610    232
   1435.55   3.593    227
   1430.18   3.579    229
   1004.27   2.513    148
   1002.93   2.510    193
   1000.61   2.504    306
    999.27   2.501    288
    995.97   2.493    247
    994.63   2.489    191
    991.09   2.480    160
    986.33   2.468    151
    985.23   2.466    176
    979.86   2.452    167
    978.64   2.449    172
    974.00   2.438    162
    972.90   2.435    175
    899.90   2.252    143
    897.46   2.246    169
    896.73   2.244    160
    895.63   2.242    165
    894.65   2.239    179
    856.32   2.143    146
    854.00   2.137    201
    852.78   2.134    187
    850.22   2.128    188
    849.00   2.125    173
    848.27   2.123    163
    846.92   2.120    144
    816.89   2.045    157
    813.35   2.036    199
    812.26   2.033    152
    804.93   2.015    172
    803.83   2.012    158
    801.15   2.005    264
    800.29   2.003    273
    799.19   2.000    218
    797.73   1.997    177
    796.39   1.993    164
    795.53   1.991    174
    794.07   1.987    189
    793.33   1.986    194
    791.87   1.982    222
    791.14   1.980    241
    789.55   1.976    237
    788.21   1.973    238
    785.77   1.967    180
    784.55   1.964    163
    735.84   1.842    181
    734.86   1.839    169
    733.03   1.835    238
    731.69   1.831    259
    730.47   1.828    247
    729.00   1.825    218
    728.03   1.822    185
    726.93   1.819    187
    724.12   1.812    301
    722.66   1.809    395
    721.31   1.805    366
    719.97   1.802    321
    715.82   1.792    152
    714.72   1.789    162
    713.87   1.787    151
    712.89   1.784    161
    712.16   1.782    177
    710.94   1.779    182
    709.11   1.775    160

in CDCl3