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552-41-0

丹皮酚(552-41-0)Raman光谱

产品名称: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

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    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

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    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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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