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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>565-80-0更多圖譜> 2,4-二甲基-3-戊酮(565-80-0)質(zhì)譜(MS)

565-80-0

2,4-二甲基-3-戊酮(565-80-0)質(zhì)譜(MS)

產(chǎn)品名稱:2,4-二甲基-3-戊酮

CAS:565-80-0

分子式:C7H14O

分子量: 114.19

InChI:InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3

InChIKey: HXVNBWAKAOHACI-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4192          
2,4-dimethyl-3-pentanone
C7H14O              (Mass of molecular ion:    114)


       Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          27.0       9.3
      28.0       1.3
      29.0       2.1
      39.0       4.7
      41.0      12.7
      42.0       5.0
      43.0     100.0
      44.0       3.4
      55.0       1.1
      57.0       2.2
      70.0       6.3
      71.0      28.8
      72.0       1.5
     114.0       5.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H14 O 0.04 ml : 0.5 ml CDCl3
    2,4-dimethyl-3-pentanone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.77
      B             1.081
  

         Hz     ppm     Int.


        263.13   2.939     27
    256.13   2.860     60
    249.38   2.785     72
    242.38   2.707     69
    235.69   2.632     38
    102.63   1.146     27
    101.50   1.134     44
    100.06   1.118   1000
     98.06   1.095     42
     94.63   1.057     38
     93.25   1.042    873

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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