1HNMR)的核磁圖,紅外圖譜,Raman光譜,質譜等圖譜" /> 1HNMR)" />

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552-41-0

丹皮酚(552-41-0)核磁圖(1HNMR)

產品名稱:丹皮酚

CAS:552-41-0

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3

InChIKey: UILPJVPSNHJFIK-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(OC)C=C1O)C

  • 圖譜
    Mass 

    MS-NW-6597          
2'-hydroxy-4'-methoxyacetophenone
C9H10O3             (Mass of molecular ion:    166)


       Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          15.0       2.2
      18.0       2.7
      27.0       1.1
      28.0       1.5
      38.0       1.3
      39.0       2.9
      41.0       1.7
      43.0       7.9
      50.0       1.5
      51.0       3.3
      52.0       2.8
      53.0       2.3
      55.0       1.4
      62.0       1.1
      63.0       2.1
      64.0       1.1
      65.0       2.9
      66.0       1.0
      69.0       3.1
      77.0       1.9
      79.0       1.8
      80.0       2.0
      93.0       1.6
      95.0       6.5
     108.0       6.4
     123.0       1.4
     151.0     100.0
     152.0       8.7
     153.0       1.0
     166.0      43.4
     167.0       4.6

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C9 H10 O3 0.043 g : 0.5 ml CDCl3
    2'-hydroxy-4'-methoxyacetophenone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            12.73
      B             7.613
      C             6.43
      D             6.41
      E             3.827
      F             2.542
  

         Hz     ppm     Int.


       1140.15  12.731    318
    687.01   7.671     77
    680.69   7.601     22
    677.61   7.566     89
    581.82   6.497     64
    579.26   6.468    131
    575.07   6.422     92
    572.94   6.398    127
    572.08   6.388    160
    569.52   6.360     27
    342.82   3.828    893
    227.72   2.543   1000

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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