367-57-7

1,1,1-三氟-2,4-戊二酮(367-57-7)质谱(MS)

产品名称:1,1,1-三氟-2,4-戊二酮

CAS:367-57-7

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

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

    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

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