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Back ChemicalBook Home>CAS DataBase List>96-22-0More Spectrum> 3-Pentanone(96-22-0) IR2

3-Pentanone(96-22-0) IR2

Product Name3-Pentanone

CAS96-22-0

Molecular FormulaC5H10O

Molecular Weight86.13

InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChIKey FDPIMTJIUBPUKL-UHFFFAOYSA-N

SmilesCCC(=O)CC


  • Mass

    MS-NW-0749          
    3-pentanone
    C5H10O              (Mass of molecular ion:     86)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.5
          27.0      12.4
          28.0       4.3
          29.0      59.4
          30.0       1.4
          39.0       1.8
          41.0       2.0
          42.0       1.8
          43.0       1.6
          55.0       1.3
          56.0       3.7
          57.0     100.0
          58.0       3.4
          86.0      21.2
          87.0       1.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H10 O 0.05 ml : 0.5 ml CDCl3
    3-pentanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.439 B 1.058

         Hz     ppm     Int.
    

        986.08   2.468    234
        978.76   2.450    614
        971.31   2.431    612
        963.87   2.412    240
        435.06   1.089     29
        430.30   1.077    694
        427.73   1.071     56
        422.97   1.059   1000
        415.41   1.040    629
    

in CDCl3



CCl4 solution



liquid film



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