447-31-4

2-氯-2-苯基苯乙酮(447-31-4)紅外圖譜(IR1)

產(chǎn)品名稱:2-氯-2-苯基苯乙酮

CAS:447-31-4

分子式:C14H11ClO

分子量: 230.69

InChI:InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H

InChIKey: RXDYOLRABMJTEF-UHFFFAOYSA-N

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

Mass

MS-NW-8975          
2-chloro-2-phenylacetophenone
C14H11ClO           (Mass of molecular ion:    230)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.2
      18.0       7.1
      36.0       1.4
      51.0       3.3
      77.0      22.2
      78.0       1.5
      89.0       2.3
      90.0       2.5
     105.0     100.0
     106.0       7.8
     125.0       2.1
     152.0       1.2
     165.0       2.4
     167.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₁ Cl O	0.041 g : 0.5 ml CDCl₃
2-chloro-2-phenylacetophenone

    Assign.     Shift(ppm)

      A             7.949
      B             7.526
      C             7.475
      D             7.412
      E             7.357
      F             7.325
      G             6.324

     Hz     ppm     Int.

   3185.06   7.970     45
   3183.84   7.967    110
   3182.01   7.962    504
   3181.40   7.961    442
   3180.79   7.959    643
   3175.54   7.946    195
   3173.58   7.941    713
   3172.24   7.938    622
   3169.31   7.931     47
   3017.94   7.552     93
   3016.72   7.549    180
   3015.38   7.546    111
   3011.23   7.535    126
   3009.28   7.530    382
   3007.45   7.526    157
   3003.17   7.515    197
   3001.83   7.512    333
   3000.61   7.509    186
   2993.29   7.490    349
   2992.92   7.489    353
   2991.33   7.485    486
   2989.26   7.480    174
   2986.33   7.473    303
   2984.62   7.469    597
   2983.64   7.466    573
   2981.08   7.460     96
   2972.05   7.437    130
   2970.21   7.433    512
   2968.63   7.429    241
   2963.50   7.416    388
   2962.16   7.412    682
   2956.54   7.398    159
   2954.83   7.394    358
   2954.22   7.393    288
   2953.25   7.390    130
   2950.93   7.384    222
   2948.73   7.379    239
   2947.02   7.375    138
   2944.82   7.369    134
   2944.34   7.368    129
   2942.87   7.364    432
   2942.14   7.362    752
   2940.67   7.359    283
   2940.06   7.357    230
   2936.40   7.348    270
   2934.94   7.344    498
   2934.33   7.343    454
   2932.74   7.339    300
   2931.15   7.335    507
   2929.57   7.331    287
   2927.00   7.324    143
   2924.07   7.317    286
   2916.87   7.299     95
   2527.59   6.325   1000

in CDCl3