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3637-01-2

3,4-二甲基苯乙酮(3637-01-2)核磁图(1HNMR)

分子式:C10H12O

分子量: 148.2

InChI:InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3

InChIKey: WPRAXAOJIODQJR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5655          
    3',4'-dimethylacetophenone
    C10H12O             (Mass of molecular ion:    148)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.6
          18.0       1.2
          27.0       4.5
          39.0       6.1
          41.0       1.5
          43.0       8.3
          50.0       2.5
          51.0       6.9
          52.0       1.8
          53.0       2.9
          62.0       1.5
          63.0       4.1
          64.0       1.1
          65.0       3.1
          74.0       1.1
          75.0       1.0
          77.0      14.8
          78.0       4.6
          79.0      11.7
          89.0       1.5
          91.0       2.9
         102.0       1.3
         103.0       8.2
         104.0       3.3
         105.0      48.9
         106.0       5.0
         119.0       1.2
         133.0     100.0
         134.0      10.7
         148.0      38.6
         149.0       4.5
         263.0       1.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O 0.04 ml : 0.5 ml CDCl3
    3',4'-dimethylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.73 B 7.69 C 7.195 D 2.554 E 2.30

         Hz     ppm     Int.
    

        691.81   7.725    111
        684.69   7.646     38
        682.75   7.624     34
        647.81   7.234     38
        647.13   7.226     33
        640.06   7.147     29
        639.38   7.140     26
        228.81   2.555   1000
        206.38   2.305    844
    

in CDCl3

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liquid film

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