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34036-07-2

3,4-二氟苯甲醛(34036-07-2)质谱(MS)

产品名称:3,4-二氟苯甲醛

CAS:34036-07-2

分子式:C7H4F2O

分子量: 142.1

InChI:InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

InChIKey: JPHKMYXKNKLNDF-UHFFFAOYSA-N

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

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    Mass

    MS-IW-7602          
    3,4-difluorobenzaldehyde
    C7H4F2O             (Mass of molecular ion:    142)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          29.0       2.8
          31.0       2.5
          37.0       1.9
          38.0       1.7
          39.0       1.0
          50.0       4.6
          51.0       1.1
          56.0       1.3
          57.0       5.0
          61.0       2.8
          62.0       4.9
          63.0      24.5
          64.0       2.1
          68.0       3.8
          69.0       2.2
          70.0       1.1
          74.0       3.3
          75.0       3.6
          81.0       2.7
          87.0       1.3
          88.0       5.7
          92.0       1.4
          93.0       3.8
          94.0       3.1
          95.0       1.1
         112.0       2.4
         113.0      74.5
         114.0      13.0
         141.0     100.0
         142.0      93.1
         143.0       7.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H4 F2 O 0.05 ml : 0.5 ml CDCl3
    3,4-difluorobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.954 B 7.73 C 7.71 D 7.374

         Hz     ppm     Int.
    

       3979.34   9.958    986
       3977.36   9.953   1000
       3098.75   7.754    244
       3096.77   7.749    352
       3090.82   7.734    271
       3089.90   7.732    503
       3088.53   7.729    573
       3087.31   7.726    259
       3086.55   7.724    429
       3085.48   7.721    428
       3083.65   7.716    193
       3082.89   7.714    363
       3081.67   7.711    340
       3080.90   7.709    518
       3079.22   7.705    494
       3078.31   7.703    481
       3077.24   7.700    345
       3076.32   7.698    148
       3075.26   7.695    243
       3072.81   7.689     31
       2959.90   7.407    286
       2952.88   7.389    256
       2951.51   7.386    282
       2950.29   7.383    299
       2943.27   7.365    316
       2941.89   7.362    301
       2940.52   7.358     83
       2934.27   7.343    228
    

in CDCl3

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liquid film

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