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127-41-3

alpha-紫羅酮(127-41-3)Raman光譜

產(chǎn)品名稱:alpha-紫羅酮

CAS:127-41-3

分子式:C13H20O

分子量: 192.3

InChI:InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+

InChIKey: UZFLPKAIBPNNCA-BQYQJAHWSA-N

Smiles:CC(=O)/C=C/C1C(C)(C)CCC=C1C

  • 圖譜


        Assign.     Shift(ppm)
    
      A             6.60
      B             6.07
      C             5.50
      D             2.27
      E             2.251
      F             2.04
      G             1.57
      J          1.67 to 1.03
      K     *1      0.932
      L     *1      0.858
    Spectral Code: 1H NMR : 90 MHz in CDCl3

  • 圖譜


           ppm   Int.  Assign.
    
      198.26   604      1
      148.93   960      2
      132.38  1000      3 *
      131.95   995      4 *
      122.68   871      5
       54.34   931      6
       32.53   787      7
       31.27   847      8
       27.80   688      9
       26.94   554     10 #
       26.83   698     11 #
       23.04   807     12
       22.77   649     13
    Spectral Code: 13C NMR : in CDCl3

  • 圖譜

    Spectral Code: IR : liquid film

  • 圖譜

    Spectral Code: Raman : 4880 A,200 M,liquid

  • 圖譜

    Spectral Code: ESR : ANION RADICAL, ELECTROLYTIC REDUCTION IN THF AT -70C

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