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Back ChemicalBook Home>CAS DataBase List>590-90-9More Spectrum> 4-Hydroxy-2-butanone(590-90-9) 1H NMR

4-Hydroxy-2-butanone(590-90-9) 1H NMR

Molecular FormulaC4H8O2

Molecular Weight88.11

InChIInChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3

InChIKey LVSQXDHWDCMMRJ-UHFFFAOYSA-N

SmilesCC(=O)CCO


  • Mass

    MS-NW-6366          
    4-hydroxy-2-butanone
    C4H8O2              (Mass of molecular ion:     88)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       2.1
          15.0      11.4
          17.0       1.1
          18.0       5.3
          19.0       2.4
          26.0       2.8
          27.0      11.7
          28.0       4.5
          29.0       6.3
          30.0       1.7
          31.0      15.6
          39.0       2.8
          41.0       2.4
          42.0       9.3
          43.0     100.0
          44.0       3.4
          45.0       8.7
          55.0      14.5
          57.0       1.4
          58.0       5.9
          61.0      12.1
          70.0      19.9
          71.0       1.8
          73.0       6.5
          88.0       4.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C4 H8 O2 0.05 ml : 0.5 ml CDCl3
    4-hydroxy-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.839 B 3.40 C 2.699 D 2.200

         Hz     ppm     Int.
    

       1542.85   3.861    114
       1537.11   3.847    280
       1531.37   3.832    275
       1525.63   3.818    113
       1363.65   3.413     94
       1357.79   3.398    182
       1351.93   3.383     77
       1084.59   2.714    279
       1078.74   2.700    426
       1073.12   2.686    250
        879.76   2.202   1000
    

in CDCl3



liquid film



4880 A,200 M,liquid



4-Hydroxy-2-butanone(590-90-9) 1H NMR Atlas of Related Products

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