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90-98-2

4,4'-二氯二苯甲酮(90-98-2)红外图谱(IR1)

产品名称:4,4'-二氯二苯甲酮

CAS:90-98-2

分子式:C13H8Cl2O

分子量: 251.11

InChI:InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

InChIKey: OKISUZLXOYGIFP-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6485          
    4,4'-dichlorobenzophenone
    C13H8Cl2O           (Mass of molecular ion:    250)
    

       Source Temperature: 130 °C
       Sample Temperature:  70 °C
       Direct, 75 eV
    

          17.0       1.1
          18.0       5.1
          28.0       2.0
          36.0       1.0
          50.0       5.2
          51.0       2.8
          74.0       3.1
          75.0      15.3
          76.0       4.5
          85.0       1.6
          93.0       1.4
         104.0       1.1
         111.0      26.9
         112.0       4.0
         113.0       8.3
         139.0     100.0
         140.0       8.1
         141.0      32.6
         142.0       2.6
         152.0       2.0
         215.0       8.7
         216.0       1.4
         217.0       3.0
         250.0      29.6
         251.0       4.6
         252.0      19.7
         253.0       3.0
         254.0       3.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C13 H8 Cl2 O 0.048 g : 0.5 ml CDCl3
    4,4'-dichlorobenzophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.712 B 7.469

         Hz     ppm     Int.
    

        698.63   7.801     60
        696.50   7.777    584
        695.94   7.771    325
        694.38   7.754    198
        689.94   7.704    253
        687.69   7.679    974
        685.75   7.657    196
        674.00   7.526    171
        672.06   7.505   1000
        669.81   7.479    275
        668.63   7.466     33
        665.31   7.429    186
        663.81   7.412    348
        663.19   7.405    572
        661.13   7.382     71
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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