134-85-0

4-氯二苯甲酮(134-85-0)红外图谱(IR2)

产品名称:4-氯二苯甲酮

CAS:134-85-0

分子式:C13H9ClO

分子量: 216.66

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

InChIKey: UGVRJVHOJNYEHR-UHFFFAOYSA-N

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

Mass

MS-NW-8778          
4-chlorobenzophenone
C13H9ClO            (Mass of molecular ion:    216)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      50.0       7.3
      51.0      16.4
      52.0       1.0
      63.0       1.3
      74.0       3.7
      75.0      15.7
      76.0       8.6
      77.0      43.6
      78.0       3.0
      85.0       1.5
      94.0       3.9
      95.0       1.2
     104.0       1.0
     105.0     100.0
     106.0       7.8
     111.0      28.3
     112.0       2.2
     113.0       9.4
     139.0      77.0
     140.0       6.0
     141.0      24.8
     142.0       1.9
     150.0       1.0
     151.0       1.9
     152.0       4.9
     153.0       2.1
     181.0      13.3
     182.0       1.9
     188.0       1.2
     215.0       1.0
     216.0      50.5
     217.0       7.5
     218.0      16.9
     219.0       2.4

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.77
      B             7.75
      C             7.592
      D             7.48
      E             7.45

     Hz     ppm     Int.

   3110.35   7.783    355
   3109.74   7.782    316
   3109.13   7.780    481
   3108.40   7.778    233
   3107.91   7.777    212
   3107.42   7.776    192
   3104.74   7.769    155
   3104.13   7.768    196
   3102.42   7.763   1000
   3102.05   7.762    986
   3100.71   7.759    652
   3095.83   7.747    269
   3093.75   7.742    824
   3091.43   7.736    140
   3043.09   7.615    127
   3035.64   7.596    257
   3033.69   7.591    109
   3029.54   7.581    137
   3028.20   7.578    243
   3026.86   7.574    129
   2999.27   7.505    279
   2998.66   7.504    363
   2997.19   7.500    183
   2991.94   7.487    277
   2990.84   7.484    477
   2989.50   7.481    180
   2985.60   7.471    168
   2985.23   7.470    167
   2983.40   7.466    974
   2982.91   7.464    709
   2981.32   7.460    320
   2976.68   7.449    254
   2975.10   7.445    467
   2974.61   7.444    764
   2972.29   7.438    116

in CDCl3