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Back ChemicalBook Home>CAS DataBase List>617-52-7More Spectrum> Dimethyl itaconate(617-52-7) IR3

Dimethyl itaconate(617-52-7) IR3

Product NameDimethyl itaconate

CAS617-52-7

Molecular FormulaC7H10O4

Molecular Weight158.15

InChIInChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3

InChIKey ZWWQRMFIZFPUAA-UHFFFAOYSA-N

SmilesC(OC)(=O)C(=C)CC(OC)=O


  • Mass

    MS-NW-0575          
    dimethyl methylenesuccinate
    C7H10O4             (Mass of molecular ion:    158)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0      61.1
          18.0       2.2
          26.0       1.5
          27.0       7.3
          28.0       3.3
          29.0      13.7
          30.0       1.1
          31.0       3.0
          37.0       1.8
          38.0       5.2
          39.0      32.9
          40.0      23.4
          41.0      28.7
          42.0       3.1
          43.0       3.5
          44.0       1.1
          45.0       7.7
          53.0       4.6
          54.0       4.1
          55.0      24.2
          56.0       2.0
          57.0       1.1
          59.0     100.0
          60.0       2.4
          67.0       9.9
          68.0      17.8
          69.0      38.5
          70.0       2.1
          71.0      17.1
          72.0       2.4
          74.0       1.0
          81.0       1.3
          82.0       4.4
          83.0       9.2
          84.0       1.0
          85.0       1.7
          87.0       1.2
          95.0       3.4
          98.0       6.8
          99.0      45.8
         100.0       3.1
         113.0      18.3
         114.0       1.4
         115.0       1.4
         126.0      44.2
         127.0      63.5
         128.0       5.2
         130.0       7.7
         143.0       5.1
         158.0       5.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H10 O4 0.047 g : 0.5 ml CDCl3
    dimethyl methylenesuccinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.34 B 5.73 C 3.773 D 3.702 E 3.349

         Hz     ppm     Int.
    

        567.75   6.340    136
        567.25   6.334    142
        566.81   6.329    143
        514.31   5.743     58
        513.25   5.731    129
        512.19   5.719    130
        337.94   3.774   1000
        331.63   3.703    820
        300.38   3.354    253
        299.56   3.345    264
    

in CDCl3



CCl4 solution



KBr disc



liquid film





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