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141-79-7

4-甲基-3-戊烯-2-酮(141-79-7)紅外圖譜(IR1)

產(chǎn)品名稱:4-甲基-3-戊烯-2-酮

CAS:141-79-7

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

InChIKey: SHOJXDKTYKFBRD-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-0029          
4-methyl-3-penten-2-one
C6H10O              (Mass of molecular ion:     98)


       Source Temperature: 220 °C
   Sample Temperature:  65 °C
   Reservoir, 75 eV


          15.0       4.3
      18.0       1.5
      26.0       1.5
      27.0      13.8
      28.0       2.4
      29.0      22.7
      31.0       2.5
      37.0       1.0
      38.0       2.5
      39.0      19.9
      40.0       2.2
      41.0       7.6
      42.0       2.4
      43.0      40.5
      44.0       1.0
      50.0       2.6
      51.0       3.3
      52.0       1.3
      53.0       9.1
      54.0       1.7
      55.0      85.0
      56.0       4.6
      58.0       1.5
      59.0       6.8
      79.0       1.9
      82.0       1.2
      83.0     100.0
      84.0       5.6
      98.0      53.6
      99.0       3.9

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H10 O 0.04 ml : 0.5 ml CDCl3
    4-methyl-3-penten-2-one
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.090
      B             2.161
      C             2.137
      D             1.885
  

         Hz     ppm     Int.


        547.94   6.119     36
    546.94   6.107     70
    546.56   6.103     72
    545.63   6.093     94
    544.31   6.078     74
    542.94   6.063     37
    193.56   2.162   1000
    192.00   2.144    479
    190.75   2.130    478
    169.56   1.894    447
    168.25   1.879    459

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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