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96-22-0

3-戊酮(96-22-0)紅外圖譜(IR2)

產(chǎn)品名稱:3-戊酮

CAS:96-22-0

分子式:C5H10O

分子量: 86.13

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

InChIKey: FDPIMTJIUBPUKL-UHFFFAOYSA-N

Smiles:CCC(=O)CC

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

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