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319-03-9

4-氟邻苯二甲酸酐(319-03-9)红外图谱(IR1)

分子式:C8H3FO3

分子量: 166.11

InChI:InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H

InChIKey: XVMKZAAFVWXIII-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=C(F)C=C2)C(=O)O1

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    Mass

    MS-IW-4946          
    4-fluorophthalic anhydride
    C8H3FO3             (Mass of molecular ion:    166)
    

       Source Temperature: 160 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          28.0       1.9
          31.0       2.8
          37.0       6.0
          38.0       1.6
          47.0       5.0
          49.0       2.2
          50.0      15.5
          51.0      10.4
          56.0       1.1
          61.0      10.4
          62.0       3.8
          63.0       3.0
          68.0      11.7
          73.0       3.5
          74.0      11.6
          75.0       5.8
          92.0       3.8
          93.0       6.7
          94.0      92.1
          95.0       6.5
         122.0     100.0
         123.0       7.9
         166.0      39.9
         167.0       3.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H3 F O3 0.040 g : 0.5 ml CDCl3
    4-fluorophthalic anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.076 B 7.700 C 7.629

         Hz     ppm     Int.
    

       3234.62   8.094    576
       3234.01   8.093    571
       3230.22   8.083    625
       3229.74   8.082    574
       3226.20   8.073    665
       3225.71   8.072    624
       3221.80   8.062    625
       3221.31   8.061    604
       3082.15   7.713    599
       3081.67   7.711    584
       3079.83   7.707    671
       3079.35   7.706    641
       3075.56   7.696    584
       3074.95   7.695    582
       3073.24   7.690    689
       3072.75   7.689    621
       3058.47   7.653    572
       3056.15   7.648    494
       3054.44   7.643     42
       3050.05   7.632   1000
       3047.73   7.626    851
       3041.50   7.611    539
       3039.31   7.605    435
    

in CDCl3

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KBr disc

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nujol mull

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