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100-06-1

对甲氧基苯乙酮(100-06-1)红外图谱(IR3)

产品名称:对甲氧基苯乙酮

CAS:100-06-1

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

InChIKey: NTPLXRHDUXRPNE-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1546          
    4'-methoxyacetophenone
    C9H10O2             (Mass of molecular ion:    150)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       6.9
          27.0       1.8
          28.0       1.3
          29.0       1.0
          37.0       1.2
          38.0       5.4
          39.0       5.4
          43.0      15.1
          50.0       8.8
          51.0       7.3
          52.0       2.4
          53.0       1.9
          61.0       1.5
          62.0       4.1
          63.0      14.5
          64.0      16.3
          65.0       3.2
          66.0       1.0
          74.0       3.5
          75.0       2.7
          76.0       4.6
          77.0      37.8
          78.0       5.3
          79.0       4.8
          91.0       1.7
          92.0      23.9
          93.0       1.9
         107.0      20.0
         108.0       1.8
         120.0       1.1
         121.0       1.4
         135.0     100.0
         136.0       8.7
         150.0      29.7
         151.0       3.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O2 0.042 g : 0.5 ml CDCl3
    4'-methoxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.929 B 6.929 C 3.863 D 2.546

         Hz     ppm     Int.
    

        715.00   7.984    192
        712.94   7.961     62
        708.19   7.908     62
        706.06   7.884    234
        703.25   7.853     28
        627.50   7.007     25
        624.69   6.976    225
        622.56   6.952     64
        617.75   6.898     53
        615.69   6.875    180
        345.94   3.863    905
        228.06   2.547   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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liquid film

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nujol mull

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