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123-54-6

乙酰丙酮(123-54-6)ESR图谱

产品名称:乙酰丙酮

CAS:123-54-6

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

InChIKey: YRKCREAYFQTBPV-UHFFFAOYSA-N

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

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    Mass

    MS2014-05096CW      
    2,4-pentanedione
    C5H8O2              (Mass of molecular ion:    100)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          15.0       3.1
          26.0       1.6
          27.0       4.7
          28.0       7.5
          29.0       2.7
          31.0       2.2
          32.0       1.9
          38.0       1.7
          39.0       5.3
          41.0       5.0
          42.0       7.7
          43.0     100.0
          44.0       2.4
          55.0       2.2
          57.0       1.2
          58.0       5.6
          69.0       1.8
          72.0      10.4
          84.0       1.0
          85.0      72.3
          86.0       3.2
         100.0      58.9
         101.0       3.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H8 O2 0.05 ml : 0.5 ml CDCl3
    2,4-pentanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.524 C 3.612 D 2.236 E 2.044

         Hz     ppm     Int.
    

       2207.64   5.524    360
       1443.85   3.613     90
        893.80   2.237    337
        826.90   2.070     22
        823.00   2.060     59
        816.89   2.045   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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COPPER(II) COMPLEX, POWDERED FROM S.C., RT

COPPER(II) COMPLEX, IN CHCL3, 77K

COPPER(II) COMPLEX, POWDERED FROM S.C., 77K

COPPER(II) COMPLEX, IN CHCL3, RT

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