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652-39-1

3-氟酞酐(652-39-1)核磁图(1HNMR)

产品名称:3-氟酞酐

CAS:652-39-1

分子式:C8H3FO3

分子量: 166.11

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

InChIKey: WWJAZKZLSDRAIV-UHFFFAOYSA-N

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

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    Mass

    MS-IW-7556          
    3-fluorophthalic anhydride
    C8H3FO3             (Mass of molecular ion:    166)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          28.0       1.8
          31.0       3.1
          37.0       6.3
          38.0       1.7
          47.0      10.3
          49.0       2.3
          50.0      12.4
          51.0       7.3
          56.0       1.1
          61.0      11.5
          62.0       3.6
          63.0       2.8
          68.0      17.3
          69.0       1.0
          73.0       3.0
          74.0      10.7
          75.0       5.9
          92.0       4.0
          93.0       6.5
          94.0      98.1
          95.0       6.7
         122.0     100.0
         123.0       7.8
         166.0      58.9
         167.0       5.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H3 F O3 0.038 g : 0.5 ml DMSO-d6
    3-fluorophthalic anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.056 B 7.937 C 7.854

         Hz     ppm     Int.
    

       3230.71   8.084    255
       3226.20   8.073    267
       3223.27   8.066    387
       3222.41   8.064    389
       3218.63   8.054    408
       3217.90   8.052    380
       3214.84   8.045    401
       3210.33   8.033    397
       3206.67   8.024     28
       3205.81   8.022     23
       3175.17   7.945   1000
       3171.63   7.937     64
       3171.26   7.936     64
       3167.72   7.927    743
       3147.71   7.877    430
       3147.22   7.875    449
       3138.55   7.854    690
       3130.13   7.833    362
       3129.52   7.831    369
    

KBr disc

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nujol mull

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