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2-氯-5-硝基肉桂酸

产品名称 2-氯-5-硝基肉桂酸

CAS号36015-19-7

分子式C9H6ClNO4

分子量227.6

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  • Mass

    MS-IW-1763          
    2-chloro-5-nitrocinnamic acid
    C9H6ClNO4           (Mass of molecular ion:    227)
    

       Source Temperature: 140 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          30.0       1.4
          39.0       1.3
          45.0       2.0
          50.0       4.3
          51.0       5.4
          61.0       1.1
          62.0       2.2
          63.0       4.8
          73.0       1.6
          74.0       7.3
          75.0      10.0
          76.0       1.7
          77.0       2.1
          87.0       1.0
          89.0       9.8
          90.0       3.4
          98.0       2.2
          99.0       5.7
         100.0       3.7
         101.0       7.4
         102.0       4.9
         118.0       3.9
         125.0       4.2
         127.0       1.4
         134.0       3.0
         135.0       2.9
         136.0       8.1
         137.0       1.6
         138.0       2.6
         146.0      35.6
         147.0       3.8
         152.0       1.0
         163.0       1.0
         182.0       1.4
         192.0     100.0
         193.0      10.6
         194.0       1.3
         210.0       1.7
         227.0      16.3
         228.0       1.7
         229.0       5.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H6 Cl N O4 0.036 g : 0.5 ml DMSO-d6
    2-chloro-5-nitrocinnamic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.9 B 8.637 C 8.222 D 7.832 E 7.810 F 6.828 J(E,F)=16.0HZ

         Hz     ppm     Int.
    

       5142.09  12.867     23
       3453.35   8.641    760
       3450.57   8.634    790
       3292.23   8.238    460
       3289.67   8.232    438
       3286.03   8.223     31
       3283.47   8.216    518
       3280.69   8.209    531
       3274.49   8.194     23
       3273.00   8.190     24
       3134.53   7.844   1000
       3129.83   7.832    815
       3125.56   7.821    908
       3120.86   7.809     34
       3118.72   7.804     24
       3113.80   7.792    860
       2736.65   6.848    975
       2720.63   6.808    869
    

in DMSO-d6



KBr disc



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