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829-20-9

2,4-二甲氧基苯乙酮(829-20-9)红外图谱(IR1)

分子式:C10H12O3

分子量: 180.2

InChI:InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3

InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(OC)C=C1OC)C

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    Mass

    MS-NW-6471          
    2',4'-dimethoxyacetophenone
    C10H12O3            (Mass of molecular ion:    180)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.8
          18.0       1.6
          39.0       1.7
          43.0       7.3
          50.0       1.5
          51.0       3.7
          52.0       1.1
          53.0       1.1
          62.0       1.4
          63.0       3.7
          64.0       2.1
          65.0       2.0
          66.0       1.1
          69.0       1.0
          77.0       6.6
          78.0       1.6
          79.0       3.7
          91.0       1.1
          92.0       3.6
          94.0       1.6
         107.0       5.9
         109.0       1.8
         121.0       1.1
         122.0      10.3
         135.0       4.4
         137.0       1.7
         150.0       4.6
         151.0       1.1
         163.0       3.4
         165.0     100.0
         166.0      11.0
         167.0       1.2
         180.0      25.8
         181.0       3.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O3 0.048 g : 0.5 ml CDCl3
    2',4'-dimethoxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.815 B 6.51 C 6.45 D *1 3.882 E *1 3.841 F 2.564

         Hz     ppm     Int.
    

        704.81   7.870     74
        703.88   7.860     51
        696.69   7.780     62
        695.75   7.769     83
        588.44   6.571     51
        586.13   6.545     80
        578.00   6.454    206
        576.56   6.438     43
        347.75   3.883    624
        344.06   3.842    745
        229.63   2.564   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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