643-65-2

3-甲基二苯甲酮(643-65-2)Raman光譜

產品名稱:3-甲基二苯甲酮

CAS:643-65-2

分子式:C14H12O

分子量: 196.24

InChI:InChI=1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey: URBLVRAVOIVZFJ-UHFFFAOYSA-N

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

Mass

MS-NW-5463          
3-methylbenzophenone
C14H12O             (Mass of molecular ion:    196)

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

      27.0       1.4
      39.0       6.9
      41.0       1.9
      50.0       4.1
      51.0      13.7
      52.0       1.2
      62.0       1.6
      63.0       4.6
      64.0       1.3
      65.0      15.2
      74.0       1.6
      75.0       1.5
      76.0       2.7
      77.0      37.8
      78.0       2.9
      83.0       1.2
      84.0       1.8
      89.0       3.9
      90.0       2.2
      91.0      37.6
      92.0       3.1
     105.0      62.7
     106.0       4.8
     119.0     100.0
     120.0       9.0
     152.0       2.9
     153.0       1.4
     165.0       3.4
     166.0       1.0
     167.0       2.2
     168.0       2.0
     181.0      11.0
     182.0       2.0
     195.0       4.4
     196.0      73.8
     197.0      12.0
     198.0       1.2

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
3-methylbenzophenone

    Assign.     Shift(ppm)

      A             7.783
      B             7.617
      C             7.56
      D             7.54
      E             7.445
      F             7.361
      G             7.328
      J             2.383
     
     90MHZ. : HSP-03-472

     Hz     ppm     Int.

   3116.46   7.798     69
   3114.62   7.794    300
   3114.01   7.792    264
   3113.40   7.791    368
   3112.06   7.787    157
   3111.69   7.787    143
   3108.40   7.778    126
   3106.32   7.773    428
   3104.98   7.770    371
   3046.51   7.623    102
   3045.78   7.622    148
   3044.80   7.619    214
   3044.19   7.618    247
   3043.46   7.616    208
   3042.36   7.613    159
   3041.75   7.612    109
   3025.27   7.570     94
   3024.17   7.568    153
   3023.80   7.567    153
   3022.83   7.564    202
   3021.48   7.561    131
   3017.46   7.551    172
   3015.50   7.546    292
   3013.43   7.541    119
   3009.40   7.531    120
   3008.06   7.527    193
   3006.59   7.524    100
   2985.11   7.470     33
   2983.40   7.466     87
   2982.18   7.462    234
   2981.69   7.461    295
   2980.10   7.457    138
   2974.98   7.444    224
   2973.88   7.442    377
   2972.41   7.438    122
   2968.26   7.428     89
   2966.55   7.423    187
   2965.82   7.422    135
   2964.97   7.419     61
   2949.10   7.380     50
   2948.49   7.378     58
   2947.51   7.376     80
   2946.90   7.374     84
   2945.80   7.371     67
   2945.19   7.370     62
   2941.53   7.361    127
   2940.92   7.359    149
   2939.82   7.356    190
   2939.21   7.355    197
   2938.23   7.353    131
   2937.62   7.351    112
   2934.45   7.343    205
   2933.96   7.342    215
   2926.88   7.324    224
   2919.19   7.305     81
    963.26   2.411     36
    952.88   2.385   1000
    952.27   2.383    973
    947.27   2.371     45

¹H NMR	89.56 MHz
C₁₄ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
3-methylbenzophenone

    Assign.     Shift(ppm)

      A             7.77
      B             7.62
      C             7.51
      D          7.62 to 7.45
      E             7.37
      F             7.32
      G             2.395
     
     400MHZ. : HSP-40-406

     Hz     ppm     Int.

    702.50   7.844    170
    700.88   7.826    189
    699.13   7.807    114
    698.19   7.796     83
    697.25   7.786     77
    695.56   7.767    183
    695.13   7.762    178
    694.25   7.752     86
    692.81   7.736    287
    691.50   7.722     73
    685.75   7.657     51
    685.06   7.650     30
    682.38   7.620    201
    681.50   7.610    176
    680.69   7.601    169
    680.19   7.595    130
    679.06   7.583    122
    677.75   7.568    130
    677.25   7.562    111
    675.75   7.546     72
    674.44   7.531    241
    672.50   7.509    500
    670.63   7.489    180
    669.94   7.481    147
    669.19   7.472    150
    667.94   7.459     56
    667.06   7.449    117
    666.06   7.438    163
    665.44   7.431    189
    665.00   7.426    198
    664.13   7.416     55
    663.25   7.406     56
    662.69   7.400     42
    660.81   7.379    383
    659.88   7.369    319
    658.38   7.352    126
    657.75   7.345    102
    656.63   7.332    119
    656.13   7.327     91
    655.19   7.316    116
    654.06   7.304    135
    214.75   2.398   1000
    214.13   2.391    805

in CDCl3