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2713-34-0

3,5-二氟苯酚(2713-34-0)Raman光谱

产品名称:3,5-二氟苯酚

CAS:2713-34-0

分子式:C6H4F2O

分子量: 130.09

InChI:InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N

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

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    Mass

    MS-KW-0176          
    3,5-difluorophenol
    C6H4F2O             (Mass of molecular ion:    130)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.6
          29.0       1.2
          31.0       5.4
          37.0       1.9
          38.0       2.3
          39.0       1.1
          50.0       3.0
          51.0       8.6
          52.0       4.1
          53.0       1.2
          55.0       1.2
          56.0       2.7
          57.0       7.8
          61.0       2.6
          62.0       3.0
          63.0       7.9
          65.0       4.7
          68.0       1.4
          71.0       1.1
          73.0       1.1
          75.0       5.8
          76.0       3.1
          80.0       1.0
          81.0       8.4
          82.0      17.1
          83.0       4.5
          99.0       2.2
         100.0       1.6
         101.0      32.9
         102.0      34.3
         103.0       1.9
         112.0       2.0
         113.0       1.0
         129.0       2.0
         130.0     100.0
         131.0       6.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H4 F2 O 0.038 g : 0.5 ml CDCl3
    3,5-difluorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.42 B 6.38 C 5.29

         Hz     ppm     Int.
    

       2575.56   6.445    136
       2573.36   6.440    248
       2571.17   6.434    199
       2569.09   6.429     35
       2566.53   6.422    234
       2564.33   6.417    544
       2562.13   6.411    450
       2557.37   6.400    173
       2556.64   6.398    156
       2554.93   6.393    873
       2552.73   6.388    675
       2549.07   6.379     36
       2546.39   6.372    743
       2544.43   6.367    422
       2541.50   6.360     24
       2114.01   5.290   1000
    

in CDCl3

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KBr disk

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