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590-90-9

4-羥基-2-丁酮(590-90-9)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):4-羥基-2-丁酮

CAS:590-90-9

分子式:C4H8O2

分子量: 88.11

InChI:InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3

InChIKey: LVSQXDHWDCMMRJ-UHFFFAOYSA-N

Smiles:CC(=O)CCO

  • 圖譜
    Mass 

    MS-NW-6366          
4-hydroxy-2-butanone
C4H8O2              (Mass of molecular ion:     88)


       Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          14.0       2.1
      15.0      11.4
      17.0       1.1
      18.0       5.3
      19.0       2.4
      26.0       2.8
      27.0      11.7
      28.0       4.5
      29.0       6.3
      30.0       1.7
      31.0      15.6
      39.0       2.8
      41.0       2.4
      42.0       9.3
      43.0     100.0
      44.0       3.4
      45.0       8.7
      55.0      14.5
      57.0       1.4
      58.0       5.9
      61.0      12.1
      70.0      19.9
      71.0       1.8
      73.0       6.5
      88.0       4.8

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C4 H8 O2 0.05 ml : 0.5 ml CDCl3
    4-hydroxy-2-butanone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.839
      B             3.40
      C             2.699
      D             2.200
  

         Hz     ppm     Int.


       1542.85   3.861    114
   1537.11   3.847    280
   1531.37   3.832    275
   1525.63   3.818    113
   1363.65   3.413     94
   1357.79   3.398    182
   1351.93   3.383     77
   1084.59   2.714    279
   1078.74   2.700    426
   1073.12   2.686    250
    879.76   2.202   1000

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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