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Back ChemicalBook Home>CAS DataBase List>594-61-6More Spectrum> 2-Hydroxyisobutyric acid(594-61-6) IR3

2-Hydroxyisobutyric acid(594-61-6) IR3

Molecular FormulaC4H8O3

Molecular Weight104.1

InChIInChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

InChIKey BWLBGMIXKSTLSX-UHFFFAOYSA-N

SmilesC(O)(=O)C(O)(C)C


  • Mass

    MS-NW-1523          
    2-hydroxy-2-methylpropionic acid
    C4H8O3              (Mass of molecular ion:    104)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.2
          15.0       7.1
          18.0       1.5
          26.0       1.3
          27.0       4.4
          28.0       2.5
          29.0       3.9
          31.0      35.4
          38.0       1.4
          39.0       7.5
          40.0       1.4
          41.0      21.0
          42.0       3.1
          43.0      45.2
          44.0       1.8
          45.0       4.7
          47.0       2.5
          58.0       1.3
          59.0     100.0
          60.0       3.6
          61.0       1.0
          86.0       1.2
          89.0       2.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C4 H8 O3 0.047 g : 0.5 ml CDCl3
    2-hydroxy-2-methylpropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.28 B *1 7.29 C 1.497

         Hz     ppm     Int.
    

        652.23   7.283     50
        134.07   1.497   1000
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder



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