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反式-2,4-二氟肉桂酸

产品名称 反式-2,4-二氟肉桂酸

CAS号94977-52-3

分子式C9H6F2O2

分子量184.14

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  • Mass

    MS-IW-7439          
    trans-2,4-difluorocinnamic acid
    C9H6F2O2            (Mass of molecular ion:    184)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.0
          28.0       1.0
          31.0       1.0
          45.0       1.7
          50.0       2.1
          51.0       1.4
          54.0       1.4
          57.0       2.0
          59.5       3.6
          61.0       1.3
          62.0       2.5
          63.0       6.4
          64.0       1.2
          68.0       1.9
          69.0       7.3
          69.5       4.8
          70.0       1.4
          74.0       3.1
          75.0       2.8
          78.0       3.7
          81.0       2.5
          83.5       3.2
          86.0       1.0
          87.0       3.5
          88.0       2.6
          92.0       4.3
          93.0       4.0
          94.0       1.9
          98.0       1.1
          99.0      11.4
         100.0       1.4
         101.0       1.6
         107.0       2.2
         108.0       3.7
         109.0       1.9
         112.0       2.0
         113.0       2.3
         114.0       2.5
         115.0       1.6
         118.0       1.9
         119.0      43.9
         120.0       4.9
         121.0       1.4
         127.0      11.8
         128.0       1.1
         136.0      44.6
         137.0       4.8
         138.0      18.7
         139.0      44.4
         140.0       4.3
         141.0       2.6
         143.0       4.2
         156.0       2.4
         164.0      14.5
         165.0      21.0
         166.0       3.3
         167.0      38.5
         168.0       3.8
         183.0       7.8
         184.0     100.0
         185.0      10.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H6 F2 O2 0.040 g : 0.5 ml DMSO-d6
    trans-2,4-difluorocinnamic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.6 B 7.934 C 7.629 D 7.341 E 7.171 G 6.587 J(C,G)=16.0HZ

         Hz     ppm     Int.
    

       3183.25   7.966    216
       3176.63   7.949    257
       3174.49   7.944    453
       3167.87   7.927    455
       3165.73   7.922    274
       3159.11   7.905    229
       3057.39   7.651    873
       3041.37   7.611    935
       2945.42   7.371    278
       2942.86   7.364    293
       2936.23   7.348    311
       2933.88   7.342    450
       2931.75   7.336    338
       2925.12   7.320    289
       2922.56   7.313    298
       2875.97   7.197    181
       2875.33   7.195    202
       2872.98   7.189    194
       2867.21   7.175    368
       2866.79   7.174    368
       2864.65   7.168    358
       2858.88   7.154    179
       2858.24   7.152    200
       2855.89   7.146    188
       2640.71   6.608   1000
       2624.47   6.567    936
    

in DMSO-d6



KBr disc



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