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                        ChemicalBook
                        
                            
    
                                
                                
                                
                                
                            
    
                            		

                        
                            
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                            123-82-0
                        
    
                        
    
                            
    2-庚胺(123-82-0)質(zhì)譜(MS)
    
                            
    
                                
    產(chǎn)品名稱:2-庚胺
    
                                
    CAS:123-82-0
    

                            
    
                            
    
                                
    分子式:C7H17N
    
                                
    分子量: 115.22
    
                            
    
                            
    InChI:InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
    
                            
    InChIKey: VSRBKQFNFZQRBM-UHFFFAOYSA-N
    
                            
    Smiles:CC(N)CCCCC
    

                        
    
                    
    
                    
                    
    
                        
                        
                        
    
                            

                            
    
                                
    
                                    
                                
    
                                
    
                                    
      
                                        
                                        
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                                                圖譜
      
                                                

Mass


      MS-NW-8600          
1-methylhexylamine
C7H17N              (Mass of molecular ion:    115)

      


      


         Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      




      


            18.0       3.8
      27.0       2.7
      28.0       2.2
      29.0       2.7
      30.0       6.2
      39.0       1.8
      41.0       4.1
      42.0       3.6
      43.0       2.7
      44.0     100.0
      45.0       2.7
      55.0       2.8
      56.0       1.6
      57.0       1.2
     100.0       3.7

      



      
                                            
      
                                        
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    400 MHz in CDCl3
    
                                    
                                
    
                                
    
                                    
      
                                        
                                        
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                                                圖譜
      
                                                


      

      
  1H NMR
  399.65 MHz

      


      
  C7 H17 N

  0.04 ml : 0.5 ml CDCl3


      

      
  1-methylhexylamine


      

      




      

      
  ChemicalStructure

      

      
  
          Assign.     Shift(ppm)
      
      A             2.868
      B             1.37
      C          1.35 to 1.230
      D             1.053
      E             0.891
  
      		

      

      


      


           Hz     ppm     Int.

      


      


         1149.17   2.876     42
   1143.07   2.861     40
    548.34   1.373    110
    539.67   1.351     75
    539.06   1.349     72
    536.62   1.343     89
    535.03   1.339     86
    534.30   1.337     86
    532.47   1.333    106
    527.95   1.322    195
    523.80   1.311    230
    522.95   1.309    214
    521.24   1.305    231
    519.65   1.301    214
    517.82   1.296    229
    517.21   1.295    228
    515.50   1.290    181
    514.89   1.289    180
    512.33   1.282    173
    507.32   1.270     87
    501.34   1.255     33
    423.83   1.061   1000
    421.51   1.055     45
    417.60   1.045    962
    415.16   1.039     31
    362.92   0.909    159
    360.72   0.903     86
    356.08   0.891    480
    348.88   0.873    183

      



      
                                            
      
                                        
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    in CDCl3
    
                                    
                                
    
                                
    
                                    
      
                                        
                                        
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    liquid film
    
                                    
                                
    
                                
    
                                    
      
                                        
                                        
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    4880 A,200 M,liquid
    
                                    
                                
    
                                
    
                                    
      
                                        
                                        
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