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586-37-8

3-甲氧基苯乙酮(586-37-8)核磁图(13CNMR)

产品名称:3-甲氧基苯乙酮

CAS:586-37-8

分子式:C9H10O2

分子量: 150.17

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

InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1489          
    3'-methoxyacetophenone
    C9H10O2             (Mass of molecular ion:    150)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       4.3
          27.0       1.2
          28.0       1.3
          37.0       1.0
          38.0       4.5
          39.0       4.9
          43.0      23.7
          50.0       6.8
          51.0       5.9
          52.0       1.3
          53.0       1.4
          61.0       1.0
          62.0       3.0
          63.0      11.6
          64.0      13.5
          65.0       4.3
          74.0       2.6
          75.0       2.0
          76.0       4.5
          77.0      38.9
          78.0       5.7
          79.0       3.1
          91.0       2.3
          92.0      22.5
          93.0       2.0
         107.0      44.1
         108.0       4.0
         135.0     100.0
         136.0       8.8
         150.0      58.5
         151.0       5.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O2 0.04 ml : 0.5 ml CDCl3
    3'-methoxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.50 B 7.46 C 7.35 D 7.10 E 3.835 F 2.574

         Hz     ppm     Int.
    

        679.50   7.588     22
        678.13   7.572     51
        676.63   7.556     40
        670.88   7.491    235
        669.31   7.474    186
        665.94   7.436     88
        657.94   7.347    114
        652.19   7.283     23
        650.75   7.267     54
        640.50   7.152     66
        639.00   7.135     75
        637.94   7.124     69
        636.44   7.107     58
        632.63   7.064     35
        631.00   7.046     39
        630.25   7.038     36
        628.63   7.020     30
        343.50   3.836    957
        230.56   2.575   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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