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123-54-6

乙酰丙酮(123-54-6)質(zhì)譜(MS)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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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