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Back ChemicalBook Home>CAS DataBase List>7338-27-4More Spectrum> Itaconic acid monomethyl ester(7338-27-4) IR1

7338-27-4

Itaconic acid monomethyl ester(7338-27-4) IR1

Molecular FormulaC6H8O4

Molecular Weight144.13

InChIInChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)

InChIKey OIYTYGOUZOARSH-UHFFFAOYSA-N

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

  • Itaconic acid monomethyl ester(7338-27-4) IR1
    Mass

    MS-NW-1425          
    4-methyl hydrogen methylenesuccinate
    C6H8O4              (Mass of molecular ion:    144)
    

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

          14.0       2.5
          15.0      68.5
          16.0       1.0
          18.0       3.3
          26.0       3.6
          27.0       9.2
          28.0      10.0
          29.0      28.4
          30.0       2.0
          31.0      17.6
          32.0       5.2
          33.0       1.9
          34.0       1.0
          37.0       6.3
          38.0      13.4
          39.0      88.5
          40.0      51.2
          41.0      59.6
          42.0       8.8
          43.0       9.3
          44.0       3.6
          45.0      27.5
          53.0       3.4
          54.0       3.6
          55.0      19.0
          56.0       5.7
          57.0      25.7
          58.0       8.4
          59.0     100.0
          60.0       3.1
          61.0       1.0
          66.0       1.1
          67.0       8.1
          68.0      94.4
          69.0      47.0
          70.0       3.7
          71.0       2.7
          72.0       6.3
          73.0       1.5
          74.0       1.3
          82.0       3.2
          83.0       1.6
          84.0       6.1
          85.0      78.3
          86.0       4.4
          98.0       1.7
          99.0      11.4
         100.0      11.1
         101.0       1.1
         112.0      16.8
         113.0      60.5
         114.0       3.8
         126.0       7.8
         127.0       2.2
         144.0       9.5
    

90 MHz in CDCl3

  • Itaconic acid monomethyl ester(7338-27-4) IR1

    1H NMR 89.56 MHz
    C6 H8 O4 0.050 g : 0.5 ml CDCl3
    4-methyl hydrogen methylenesuccinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.53 B 6.474 C 5.844 D 3.713 E 3.356 J(B,C)=0.9HZ J(C,E)=-1.0HZ

         Hz     ppm     Int.
    

        943.31  10.533     45
        580.38   6.481    122
        579.44   6.470    132
        525.06   5.863     40
        523.94   5.851    114
        523.00   5.840    117
        521.88   5.828     48
        332.56   3.714   1000
        301.00   3.361    202
        300.13   3.352    215
    

in CDCl3

  • Itaconic acid monomethyl ester(7338-27-4) IR1

CCl4 solution

  • Itaconic acid monomethyl ester(7338-27-4) IR1

KBr disc

  • Itaconic acid monomethyl ester(7338-27-4) IR1

nujol mull

  • Itaconic acid monomethyl ester(7338-27-4) IR1

4880 A,200 M,powder

  • Itaconic acid monomethyl ester(7338-27-4) IR1

Itaconic acid monomethyl ester(7338-27-4) IR1 Atlas of Related Products

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