Dimethyl itaconate(617-52-7) Raman

Product NameDimethyl itaconate

CAS 617-52-7

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

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Dimethyl itaconate(617-52-7) Raman
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

Dimethyl itaconate(617-52-7) Raman

¹H NMR	89.56 MHz
C₇ H₁₀ O₄	0.047 g : 0.5 ml CDCl₃
dimethyl methylenesuccinate

    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