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Back ChemicalBook Home>CAS DataBase List>367-57-7More Spectrum> 1,1,1-Trifluoro-2,4-pentanedione(367-57-7) IR1

1,1,1-Trifluoro-2,4-pentanedione(367-57-7) IR1

Molecular FormulaC5H5F3O2

Molecular Weight154.09

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

InChIKey SHXHPUAKLCCLDV-UHFFFAOYSA-N

SmilesC(F)(F)(F)C(=O)CC(=O)C


  • 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


  • 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



liquid film





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













1,1,1-Trifluoro-2,4-pentanedione(367-57-7) IR1 Atlas of Related Products

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