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51-66-1

4'-甲氧基乙酰苯胺(51-66-1)核磁图(13CNMR)

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)

InChIKey: XVAIDCNLVLTVFM-UHFFFAOYSA-N

Smiles:C(NC1=CC=C(OC)C=C1)(=O)C

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    Mass

    MS-NW-8139          
    4'-methoxyacetanilide
    C9H11NO2            (Mass of molecular ion:    165)
    

       Source Temperature: 170 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       2.0
          18.0       2.7
          27.0       1.0
          28.0       1.7
          38.0       1.2
          39.0       2.5
          41.0       3.4
          42.0       1.0
          43.0      18.8
          50.0       1.0
          51.0       2.5
          52.0       6.5
          53.0       5.4
          54.0       1.0
          63.0       2.6
          64.0       2.5
          65.0       4.4
          77.0       1.3
          78.0       1.6
          79.0       2.7
          80.0       8.5
          81.0       1.3
          92.0       2.0
          93.0       1.1
          95.0       6.6
         106.0       1.3
         107.0       1.2
         108.0     100.0
         109.0       7.8
         122.0       9.4
         123.0      70.8
         124.0       7.1
         134.0       1.6
         149.0       1.1
         165.0      74.5
         166.0       7.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H11 N O2 0.049 g : 0.5 ml CDCl3
    4'-methoxyacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.2 B 7.374 C 6.805 D 3.754 E 2.091

         Hz     ppm     Int.
    

        732.06   8.174     38
        665.63   7.433    142
        663.44   7.408     56
        658.69   7.355     69
        656.63   7.332    197
        654.19   7.305     32
        654.00   7.303     32
        653.38   7.296     36
        616.44   6.883     36
        613.31   6.849    208
        611.06   6.823     67
        606.31   6.770     60
        604.19   6.747    147
        336.25   3.755   1000
        187.44   2.093    752
    

in CDCl3

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KBr disc

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nujol mull

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