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Back ChemicalBook Home>CAS DataBase List>609-08-5More Spectrum> Diethyl methylmalonate(609-08-5) MS

Diethyl methylmalonate(609-08-5) MS

Molecular FormulaC8H14O4

Molecular Weight174.19

InChIInChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3

InChIKey UPQZOUHVTJNGFK-UHFFFAOYSA-N

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


  • Mass

    MS-NW-1304          
    diethyl methylmalonate
    C8H14O4             (Mass of molecular ion:    174)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.6
          26.0       2.7
          27.0      18.7
          28.0      13.2
          29.0     100.0
          30.0       3.9
          31.0       2.8
          41.0       5.0
          43.0       2.0
          45.0       8.2
          55.0       5.8
          56.0      20.0
          57.0      20.6
          73.0      12.6
          74.0      42.0
          75.0       4.8
         100.0       1.3
         101.0       8.2
         102.0      18.9
         103.0       2.0
         128.0       7.2
         129.0      46.7
         130.0       3.1
         146.0       2.6
         147.0       8.6
         174.0       4.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H14 O4 0.04 ml : 0.5 ml CDCl3
    diethyl methylmalonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.190 B 3.417 C 1.419 D 1.275

         Hz     ppm     Int.
    

        387.06   4.322     91
        379.75   4.241    349
        372.56   4.160    420
        365.50   4.082    151
        317.50   3.546     27
        310.13   3.463     79
        302.81   3.382     85
        295.63   3.301     34
        130.50   1.458    470
        123.19   1.376    417
        121.00   1.352    463
        113.94   1.273   1000
        106.75   1.192    395
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



Diethyl methylmalonate(609-08-5) MS Atlas of Related Products

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