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34328-61-5

3-氯-4-氟苯甲醛(34328-61-5)Raman光谱

产品名称:3-氯-4-氟苯甲醛

CAS:34328-61-5

分子式:C7H4ClFO

分子量: 158.56

InChI:InChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

InChIKey: GVORVQPNNSASDM-UHFFFAOYSA-N

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

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    Mass

    MS-IW-9539          
    3-chloro-4-fluorobenzaldehyde
    C7H4ClFO            (Mass of molecular ion:    158)
    

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

          28.0       1.8
          29.0       3.8
          31.0       2.5
          36.0       1.6
          37.0       2.9
          38.0       1.8
          39.0       1.1
          49.0       1.6
          50.0       9.0
          51.0       2.4
          57.0       1.4
          61.0       3.3
          62.0       2.8
          63.0       3.8
          64.5       1.2
          68.0       7.3
          69.0       5.7
          70.0       1.2
          73.0       3.3
          74.0      10.2
          75.0      11.5
          78.5       1.2
          84.0       1.5
          85.0       1.1
          91.0       1.0
          92.0       2.8
          93.0      11.3
          94.0      14.3
          95.0      16.6
          96.0       1.2
         103.0       1.1
         109.0       7.6
         111.0       2.6
         128.0       1.3
         129.0      62.3
         130.0       8.5
         131.0      20.3
         132.0       2.7
         157.0     100.0
         158.0      67.9
         159.0      37.2
         160.0      21.8
         161.0       1.7
         174.0       4.7
         176.0       1.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H4 Cl F O 0.05 ml : 0.5 ml CDCl3
    3-chloro-4-fluorobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.943 B 7.954 C 7.822 D 7.328

         Hz     ppm     Int.
    

       3973.85   9.944   1000
       3183.59   7.966    385
       3181.61   7.961    391
       3176.57   7.949    381
       3174.44   7.944    377
       3133.85   7.842    226
       3131.71   7.837    209
       3129.12   7.830    230
       3127.14   7.825    221
       3125.46   7.821    243
       3123.32   7.816    230
       3120.73   7.809    238
       3118.74   7.804    213
       2937.16   7.350    307
       2934.72   7.344     22
       2928.77   7.329    553
       2923.58   7.316     22
       2920.23   7.307    279
    

in CDCl3

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liquid film

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