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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>1694-31-1更多圖譜> 乙酰乙酸叔丁酯(1694-31-1)質(zhì)譜(MS)

1694-31-1

乙酰乙酸叔丁酯(1694-31-1)質(zhì)譜(MS)

產(chǎn)品名稱:乙酰乙酸叔丁酯

CAS:1694-31-1

分子式:C8H14O3

分子量: 158.2

InChI:InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

InChIKey: JKUYRAMKJLMYLO-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-1091          
tert-butyl acetoacetate
C8H14O3             (Mass of molecular ion:    158)


       Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          14.0       1.8
      15.0      11.4
      18.0       1.1
      26.0       2.8
      27.0      11.7
      28.0       5.1
      29.0      23.0
      31.0      14.0
      37.0       1.2
      38.0       1.9
      39.0      13.5
      40.0       2.6
      41.0      48.1
      42.0       8.8
      43.0      90.9
      44.0      10.1
      50.0       1.0
      53.0       1.2
      55.0       4.5
      56.0      16.3
      57.0     100.0
      58.0       8.7
      59.0      56.1
      60.0       2.0
      69.0       6.1
      84.0       6.3
      85.0      39.5
      86.0       1.8
     101.0       2.7
     102.0       3.4
     103.0      20.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H14 O3 0.04 ml : 0.5 ml CDCl3
    tert-butyl acetoacetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.353
      B             2.254
      C             1.476
  

         Hz     ppm     Int.


        300.63   3.357    122
    300.19   3.352    127
    201.94   2.255    260
    132.19   1.476   1000

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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