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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>4746-97-8更多圖譜> 1,4-環(huán)己二酮單乙二醇縮酮(4746-97-8)Raman光譜

4746-97-8

1,4-環(huán)己二酮單乙二醇縮酮(4746-97-8)Raman光譜

分子式:C8H12O3

分子量: 156.18

InChI:InChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2

InChIKey: VKRKCBWIVLSRBJ-UHFFFAOYSA-N

Smiles:O1C2(CCC(=O)CC2)OCC1

  • 圖譜
    Mass 

    MS-IW-4170          
1,4-dioxaspiro(4.5)decan-8-one
C8H12O3             (Mass of molecular ion:    156)


       Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          27.0       3.1
      28.0       5.6
      29.0       1.5
      39.0       1.8
      41.0       2.0
      42.0       2.9
      43.0       3.4
      45.0       1.4
      53.0       1.1
      54.0       1.9
      55.0      13.5
      56.0       9.0
      57.0       2.2
      67.0       2.6
      71.0       1.7
      83.0       2.4
      84.0       4.0
      86.0       4.0
      97.0       2.9
      98.0       1.9
      99.0     100.0
     100.0      29.7
     101.0       2.3
     156.0       3.3

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H12 O3 0.036 g : 0.5 ml CDCl3
    1,4-dioxaspiro(4.5)decan-8-one
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.037
      B             2.512
      C             2.019
  

         Hz     ppm     Int.


       1613.53   4.038   1000
   1011.47   2.531    132
   1004.39   2.514    182
    997.19   2.496    142
    812.87   2.034    152
    811.65   2.031     76
    805.54   2.016    197
    798.58   1.999    120

in CDCl3

  • 圖譜

KBr disc

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nujol mull

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