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367-57-7

1,1,1-三氟-2,4-戊二酮(367-57-7)Raman光谱

分子式:C5H5F3O2

分子量: 154.09

InChI:InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3

InChIKey: SHXHPUAKLCCLDV-UHFFFAOYSA-N

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

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    Mass

    MS-IW-5622          
    1,1,1-trifluoro-2,4-pentanedione
    C5H5F3O2            (Mass of molecular ion:    154)
    

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

          14.0       1.5
          15.0       5.6
          26.0       1.7
          27.0       6.3
          28.0       3.4
          29.0       6.5
          31.0       7.1
          37.0       1.3
          38.0       2.2
          39.0       7.8
          40.0       1.0
          41.0       8.2
          42.0       8.5
          43.0      85.0
          44.0       2.8
          45.0       4.0
          50.0       1.6
          51.0       2.3
          53.0       1.9
          55.0       4.6
          63.0       1.2
          67.0       2.0
          69.0      87.2
          70.0       2.8
          71.0       1.0
          75.0       1.4
          83.0       1.2
          84.0       1.9
          85.0     100.0
          86.0       4.8
          87.0       1.2
          89.0       3.0
          91.0       3.8
          97.0       1.9
         107.0       1.3
         119.0      12.8
         120.0       1.6
         139.0      23.3
         140.0       1.1
         154.0      33.4
         155.0       3.0
         176.0       2.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H5 F3 O2 0.05 ml : 0.5 ml CDCl3
    1,1,1-trifluoro-2,4-pentanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.01 B 5.947 C 2.229

         Hz     ppm     Int.
    

        532.71   5.949    260
        201.27   2.248    124
        199.71   2.230   1000
        137.40   1.535     26
    

in CDCl3

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liquid film

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COPPER(II), (CH3)2(C6H5)P COMPLEX, IN CHCL3, RT

COPPER(II), (C2H5)3P COMPLEX, IN CHCL3, RT

COPPER(II) COMPLEX, IN TOLUENE, 77K

COPPER(II), (C4H9)3P COMPLEX, IN CHCL3, RT

AS SAME AS ESR-0411, 77K

COPPER(II), (C6H5)2(CH3)P COMPLEX, IN CHCL3, RT

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