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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

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    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

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

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KBr disc

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nujol mull

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