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Back ChemicalBook Home>CAS DataBase List>609-09-6More Spectrum> Diethyl ketomalonate(609-09-6) MS

Diethyl ketomalonate(609-09-6) MS

Molecular FormulaC7H10O5

Molecular Weight174.15

InChIInChI=1S/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3

InChIKey DBKKFIIYQGGHJO-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(=O)C(OCC)=O


  • Mass

    MS-NW-8993          
    diethyl mesoxalate
    C7H10O5             (Mass of molecular ion:    174)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0      14.7
          28.0       7.3
          29.0     100.0
          30.0       4.3
          31.0       9.3
          43.0       3.7
          44.0       1.7
          45.0       9.4
          46.0       1.2
          47.0       1.8
          56.0       1.5
          57.0       2.7
          59.0       1.8
          73.0       3.6
          74.0      15.0
          75.0       1.8
         102.0       5.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H10 O5 0.04 ml : 0.5 ml CDCl3
    diethyl mesoxalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.417 B 1.396

         Hz     ppm     Int.
    

        406.94   4.544    119
        399.69   4.463    450
        392.56   4.384    493
        385.44   4.304    165
        132.19   1.476    461
        129.75   1.449     24
        125.13   1.398   1000
        122.75   1.371     31
        122.31   1.366     32
        120.94   1.351     34
        120.06   1.341     36
        117.94   1.317    452
    

in CDCl3



liquid film





Diethyl ketomalonate(609-09-6) MS Atlas of Related Products

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