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Back ChemicalBook Home>CAS DataBase List>110-19-0More Spectrum> Isobutyl acetate(110-19-0) 1H NMR

Isobutyl acetate(110-19-0) 1H NMR

Product NameIsobutyl acetate

CAS110-19-0

Molecular FormulaC6H12O2

Molecular Weight116.16

InChIInChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N

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


  • Mass

    MS-NW-0012          
    isobutyl acetate
    C6H12O2             (Mass of molecular ion:    116)
    

       Source Temperature: 200 °C
       Sample Temperature:  65 °C
       Reservoir, 75 eV
    

          15.0       3.2
          18.0       3.2
          27.0       3.7
          28.0       1.2
          29.0       3.9
          31.0       1.2
          39.0       3.8
          41.0      11.2
          42.0       1.6
          43.0     100.0
          44.0       2.4
          55.0       2.7
          56.0      34.6
          57.0       3.6
          61.0       3.4
          71.0       4.1
          73.0      17.8
          74.0       1.9
          86.0       2.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H12 O2 10.0 mol% in CDCl3
    isobutyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 0.94 B 1.93 C 2.054 D 3.849

         Hz     ppm     Int.
    

        348.13   3.888    275
        341.50   3.814    294
        186.06   2.078     26
        183.69   2.052   1000
        180.25   2.013     23
        179.50   2.005     36
        172.63   1.928     40
        166.06   1.855     37
         86.81   0.970    721
         80.31   0.897    557
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



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