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Back ChemicalBook Home>CAS DataBase List>498-23-7More Spectrum> Citraconic acid(498-23-7) IR1

Citraconic acid(498-23-7) IR1

Product NameCitraconic acid

CAS498-23-7

Molecular FormulaC5H6O4

Molecular Weight130.1

InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-

InChIKey HNEGQIOMVPPMNR-IHWYPQMZSA-N

SmilesC(O)(=O)/C(/C)=C\C(O)=O


  • Mass

    MS-NW-1804          
    citraconic acid
    C5H6O4              (Mass of molecular ion:    130)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          13.0       1.2
          14.0       1.2
          15.0       2.2
          17.0       9.6
          18.0      45.4
          25.0       2.9
          26.0       3.6
          27.0       3.5
          28.0       5.9
          29.0       3.7
          34.0       1.2
          36.0       2.8
          37.0      13.1
          38.0      19.2
          39.0     100.0
          40.0      73.2
          41.0      15.9
          42.0       2.3
          43.0       7.5
          44.0       1.5
          45.0      10.3
          53.0       5.3
          55.0       1.6
          66.0       1.1
          67.0       3.8
          68.0      72.2
          69.0       5.9
          71.0       2.8
          84.0       5.9
          85.0       3.4
          86.0      24.6
          87.0       1.2
         112.0       6.5
         113.0       3.1
    



KBr disc



nujol mull



4880 A,200 M,powder



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