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Back ChemicalBook Home>CAS DataBase List>96-22-0More Spectrum> 3-Pentanone(96-22-0) IR1

96-22-0

3-Pentanone(96-22-0) IR1

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

  • 3-Pentanone(96-22-0) IR1
    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

  • 3-Pentanone(96-22-0) IR1

    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

  • 3-Pentanone(96-22-0) IR1

CCl4 solution

  • 3-Pentanone(96-22-0) IR1

liquid film

  • 3-Pentanone(96-22-0) IR1

3-Pentanone(96-22-0) IR1 Atlas of Related Products

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