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4437-51-8

3,4-己二酮(4437-51-8)紅外圖譜(IR1)

產(chǎn)品名稱:3,4-己二酮

CAS:4437-51-8

分子式:C6H10O2

分子量: 114.14

InChI:InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3

InChIKey: KVFQMAZOBTXCAZ-UHFFFAOYSA-N

Smiles:CCC(=O)C(=O)CC

  • 圖譜
    Mass 

    MS-NW-4263          
bipropionyl
C6H10O2             (Mass of molecular ion:    114)


       Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          18.0       1.4
      26.0       2.9
      27.0      15.5
      28.0       4.9
      29.0      75.0
      30.0       2.1
      39.0       1.1
      41.0       2.3
      42.0       1.2
      43.0       1.7
      55.0       1.4
      56.0       1.2
      57.0     100.0
      58.0       4.3
      69.0       1.8
     114.0       9.7
     153.0       3.2

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H10 O2 0.04 ml : 0.5 ml CDCl3
    bipropionyl
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.777
      B             1.095
  

         Hz     ppm     Int.


        260.44   2.908    124
    259.94   2.903    120
    252.81   2.823    453
    246.06   2.748    302
    245.50   2.742    521
    238.69   2.666    173
    238.25   2.661    165
    104.69   1.169    510
    103.38   1.155     59
    102.50   1.145     28
     97.63   1.091   1000
     95.38   1.065     35
     90.25   1.008    406

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

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