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Back ChemicalBook Home>CAS DataBase List>600-14-6More Spectrum> 2,3-Pentanedione(600-14-6) IR1

2,3-Pentanedione(600-14-6) IR1

Product Name2,3-Pentanedione

CAS600-14-6

Molecular FormulaC5H8O2

Molecular Weight100.12

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

InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N

SmilesCC(=O)C(=O)CC


  • Mass

    MS-NW-4711          
    2,3-pentanedione
    C5H8O2              (Mass of molecular ion:    100)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       2.1
          15.0       8.7
          18.0       1.0
          26.0       4.0
          27.0      16.4
          28.0       3.5
          29.0      61.0
          30.0       1.5
          39.0       1.1
          42.0       4.9
          43.0     100.0
          44.0       3.8
          45.0       1.9
          55.0       1.1
          57.0      48.0
          58.0       1.9
         100.0      11.9
         101.0       1.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H8 O2 0.04 ml : 0.5 ml CDCl3
    2,3-pentanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.775 B 2.339 C 1.091

         Hz     ppm     Int.
    

        259.63   2.899     51
        259.13   2.894     46
        252.06   2.815    154
        245.25   2.739    131
        244.81   2.734    175
        237.94   2.657     70
        237.44   2.652     59
        209.50   2.340   1000
        104.63   1.169    184
         97.56   1.090    365
         90.13   1.007    151
         89.75   1.003     76
    

in CDCl3



liquid film





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