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Back ChemicalBook Home>CAS DataBase List>2459-05-4More Spectrum> Monoethyl fumarate(2459-05-4) IR2

2459-05-4

Monoethyl fumarate(2459-05-4) IR2

Product NameMonoethyl fumarate

CAS2459-05-4

Molecular FormulaC6H8O4

Molecular Weight144.13

InChIInChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+

InChIKey XLYMOEINVGRTEX-ONEGZZNKSA-N

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

  • Monoethyl fumarate(2459-05-4) IR2
    Mass

    MS-IW-0566          
    ethyl hydrogen fumarate
    C6H8O4              (Mass of molecular ion:    144)
    

       Source Temperature: 260 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       1.2
          26.0       5.7
          27.0      16.0
          28.0       4.6
          29.0      12.7
          31.0       1.0
          43.0       3.8
          44.0       1.2
          45.0      11.7
          53.0       7.6
          54.0       5.8
          55.0       6.5
          71.0       5.5
          72.0       3.8
          81.0      12.3
          82.0      14.0
          98.0       5.6
          99.0     100.0
         100.0      13.2
         101.0       1.1
         117.0       9.0
         126.0       8.9
         127.0       2.6
    

400 MHz in CDCl3

  • Monoethyl fumarate(2459-05-4) IR2

    1H NMR 399.65 MHz
    C6 H8 O4 0.035 g : 0.5 ml CDCl3
    ethyl hydrogen fumarate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.1 B 6.947 C 6.867 D 4.289 E 1.338

         Hz     ppm     Int.
    

       2787.48   6.975    264
       2771.76   6.936    615
       2749.18   6.879    614
       2733.46   6.840    272
       1725.16   4.317    142
       1717.99   4.299    442
       1710.82   4.281    453
       1703.64   4.263    153
        541.99   1.357    498
        534.82   1.339   1000
        527.65   1.321    490
    

in CDCl3

  • Monoethyl fumarate(2459-05-4) IR2

KBr disc

  • Monoethyl fumarate(2459-05-4) IR2

nujol mull

  • Monoethyl fumarate(2459-05-4) IR2

  • Monoethyl fumarate(2459-05-4) IR2

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