5162-03-8

2-氯二苯甲酮(5162-03-8)核磁图(¹HNMR)

产品名称:2-氯二苯甲酮

CAS:5162-03-8

分子式:C13H9ClO

分子量: 216.66

InChI:InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

InChIKey: VMHYWKBKHMYRNF-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1Cl)(C1=CC=CC=C1)=O

Mass

MS-NW-7091          
2-chlorobenzophenone
C13H9ClO            (Mass of molecular ion:    216)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       3.8
      27.0       1.2
      28.0       3.0
      39.0       1.3
      50.0       7.2
      51.0      15.8
      52.0       1.0
      63.0       1.4
      74.0       3.4
      75.0      11.3
      76.0       7.5
      77.0      39.4
      78.0       2.9
      85.0       1.2
      94.0       1.3
     105.0     100.0
     106.0       7.7
     111.0      14.5
     112.0       1.3
     113.0       5.2
     139.0      42.1
     140.0       3.5
     141.0      14.0
     142.0       1.3
     150.0       1.0
     151.0       2.0
     152.0       4.4
     153.0       1.5
     180.0       1.3
     181.0       4.4
     188.0       1.0
     216.0      37.0
     217.0       5.7
     218.0      13.0
     219.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₉ Cl O	0.040 g : 0.5 ml CDCl₃
2-chlorobenzophenone

    Assign.     Shift(ppm)

      A             7.816
      B             7.594
      C             7.461
      D             7.46
      E             7.43
      F             7.37
      G             7.36
     
     CONFIRMED BY LAOCN CALCULATION

     Hz     ppm     Int.

   3129.88   7.832    106
   3128.17   7.828    544
   3127.69   7.827    449
   3126.95   7.825    663
   3121.83   7.812    218
   3119.87   7.807    749
   3118.53   7.804    693
   3044.92   7.619    102
   3043.70   7.616    186
   3042.36   7.613    106
   3038.09   7.602    140
   3036.25   7.598    416
   3034.55   7.594    145
   3030.15   7.583    182
   3028.81   7.579    309
   3027.59   7.576    163
   2991.58   7.486    139
   2989.99   7.482    526
   2988.40   7.478    255
   2986.57   7.473    222
   2985.35   7.470    195
   2982.42   7.463    699
   2982.06   7.462    725
   2980.71   7.459    327
   2979.86   7.457    519
   2978.88   7.454    564
   2978.03   7.452    801
   2977.42   7.451    580
   2976.32   7.448    265
   2974.61   7.444    695
   2972.90   7.439    426
   2969.60   7.431    464
   2966.92   7.424     80
   2964.60   7.418    125
   2961.55   7.411    200
   2956.54   7.398     44
   2952.88   7.389    113
   2952.03   7.387    140
   2948.49   7.378   1000
   2947.39   7.375    745
   2947.02   7.375    695
   2945.31   7.370    443
   2944.58   7.368    423
   2943.24   7.365    385
   2941.53   7.361    324
   2939.45   7.356     38
   2935.67   7.346     49
   2933.96   7.342     55

in CDCl3