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2,5-二氟苯甲酸

产品名称 2,5-二氟苯甲酸

CAS号2991-28-8

分子式C7H4F2O2

分子量158.1

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  • Mass

    MS-IW-0005          
    2,5-difluorobenzoic acid
    C7H4F2O2            (Mass of molecular ion:    158)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       2.9
          28.0       1.0
          31.0       2.1
          37.0       1.3
          45.0       3.0
          50.0       3.6
          56.0       1.5
          57.0       3.3
          61.0       2.4
          62.0       4.2
          63.0      21.7
          64.0       1.5
          68.0       3.3
          69.0       1.9
          70.5       3.3
          74.0       2.8
          75.0       1.8
          81.0       3.0
          82.0       2.5
          83.0       1.0
          87.0       1.1
          88.0       2.5
          92.0       1.4
          93.0       3.3
          94.0       7.7
         101.0       1.0
         110.0       2.8
         112.0       3.0
         113.0      46.6
         114.0       6.6
         130.0       1.5
         138.0       3.3
         139.0       1.0
         141.0     100.0
         142.0       7.8
         158.0      88.4
         159.0       6.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H4 F2 O2 0.033 g : 0.5 ml CDCl3
    2,5-difluorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.6 B 7.719 C 7.296 D 7.171

         Hz     ppm     Int.
    

       4641.80  11.615     69
       3099.54   7.756     30
       3093.87   7.742    558
       3090.57   7.734    634
       3088.37   7.728    640
       3085.26   7.720   1000
       3082.14   7.713    646
       3079.94   7.707    619
       3076.65   7.699    576
       3070.97   7.685     31
       3070.60   7.684     30
       2929.38   7.330    317
       2925.90   7.322    522
       2922.24   7.312    596
       2920.22   7.307    534
       2918.57   7.303    623
       2916.74   7.299    769
       2915.28   7.295    458
       2913.08   7.290    746
       2909.60   7.281    699
       2906.12   7.272    416
       2904.47   7.268    549
       2900.08   7.257     30
       2882.31   7.213     35
       2881.39   7.210     39
       2877.00   7.199    631
       2872.78   7.189    660
       2867.29   7.175    844
       2863.08   7.164    840
       2858.13   7.152    480
       2853.92   7.142    454
    

in CDCl3



KBr disc



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