
    
        DL-MANDELIC ACID BENZYL ESTER
        
            产品名称
            DL-MANDELIC ACID BENZYL ESTER
        
        CAS号80409-16-1
        分子式C15H14O3
        分子量242.27
            InChIInChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
                    InChIKeyJFKWZVQEMSKSBU-UHFFFAOYSA-N
                    SmilesC1(C=CC=CC=1)C(O)C(=O)OCC1C=CC=CC=1
                    
                
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      Assign.     Shift(ppm)
 A             7.40
      B             7.34
      C             7.32
      D             7.29
      E             7.18
      F     *1      5.21
      G             5.20
      J     *1      5.17
      K             3.53
 Spectral Code: 1H NMR : 400 MHz in CDCl3 
 
 
 
                 
                
                    
                    
                    
                        
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         ppm   Int.  Assign.
 173.41   129      1
      138.31   161      2
      135.12   124      3
      128.50  1000      4
                        5
                        6
                        7
      127.90   441      8
      126.63   516      9
       73.05   231     10
       67.46   231     11
 Spectral Code: 13C NMR : in CDCl3 
 
 
 
                 
                
                    
                    
                    
                        
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Spectral Code: IR : KBr disc 
 
 
 
                 
                
                    
                    
                    
                        
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Spectral Code: Raman : 4880 A,200 M,powder 
 
 
 
                 
         
 
    
    
    
        DL-MANDELIC ACID BENZYL ESTER(80409-16-1)Raman光谱 相关产品图谱