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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>624-45-3更多圖譜> 乙酰丙酸甲酯(624-45-3)紅外圖譜(IR2)

624-45-3

乙酰丙酸甲酯(624-45-3)紅外圖譜(IR2)

產(chǎn)品名稱:乙酰丙酸甲酯

CAS:624-45-3

分子式:C6H10O3

分子量: 130.14

InChI:InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3

InChIKey: UAGJVSRUFNSIHR-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4264          
methyl 4-oxovalerate
C6H10O3             (Mass of molecular ion:    130)


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


          14.0       1.0
      15.0      15.2
      26.0       1.8
      27.0       7.0
      28.0       5.7
      29.0       2.3
      31.0       1.3
      39.0       1.4
      41.0       2.1
      42.0       4.7
      43.0     100.0
      44.0       2.4
      45.0       2.1
      55.0      16.1
      56.0       4.5
      57.0      10.5
      59.0      11.3
      71.0       6.4
      87.0       5.3
      88.0      10.9
      98.0       6.2
      99.0      23.5
     100.0       1.6
     115.0      18.7
     116.0       1.1
     130.0       2.2

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H10 O3 0.04 ml : 0.5 ml CDCl3
    methyl 4-oxovalerate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.676
      B             2.751
      C             2.592
      D             2.195
  

         Hz     ppm     Int.


        329.25   3.677   1000
    253.63   2.832     29
    251.63   2.810     32
    247.69   2.766     98
    242.94   2.713    111
    242.25   2.705    125
    236.44   2.641    138
    235.38   2.629    120
    232.56   2.597     25
    230.69   2.576    108
    227.06   2.536     35
    225.00   2.513     35
    222.25   2.482     26
    196.56   2.195    842

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

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