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613-45-6

2,4-二甲氧基苯甲醛(613-45-6)红外图谱(IR3)

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3

InChIKey: LWRSYTXEQUUTKW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3808          
    2,4-dimethoxybenzaldehyde
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       7.9
          26.0       1.6
          27.0       2.1
          28.0       2.6
          29.0       4.9
          31.0       1.0
          37.0       2.4
          38.0       6.2
          39.0      10.4
          41.0       6.0
          43.0       1.2
          49.0       1.0
          50.0       7.1
          51.0      12.8
          52.0       8.7
          53.0       5.6
          55.0       1.8
          59.0       1.6
          61.0       2.3
          62.0       6.2
          63.0      23.4
          64.0      10.8
          65.0       9.7
          66.0       2.6
          67.0       1.6
          69.0       4.3
          74.0       2.8
          75.0       3.2
          76.0       2.8
          77.0      18.8
          78.0       5.7
          79.0      10.5
          80.0       4.7
          90.0       1.1
          91.0       3.9
          92.0      11.0
          93.0       3.2
          94.0       4.6
          95.0       8.5
         105.0       3.2
         106.0      23.0
         107.0      14.5
         108.0       5.6
         109.0      10.0
         119.0       1.5
         120.0      23.4
         121.0      22.1
         122.0      20.1
         123.0       3.1
         124.0       3.5
         134.0      10.3
         135.0      28.0
         136.0       3.7
         137.0       9.0
         138.0       1.6
         148.0      23.6
         149.0      52.0
         150.0      11.3
         151.0       7.3
         165.0      77.9
         166.0     100.0
         167.0      10.3
         168.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O3 0.069 g : 0.5 ml CDCl3
    2,4-dimethoxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.280 B 7.787 C 6.529 D 6.440 E *1 3.889 F *1 3.864

         Hz     ppm     Int.
    

        921.02  10.284    223
        920.29  10.276    200
        702.03   7.839    112
        693.46   7.743    125
        590.84   6.598     49
        590.19   6.590     51
        588.65   6.573     65
        587.92   6.565     61
        582.28   6.502     36
        581.69   6.495     37
        580.08   6.478     82
        579.42   6.470     86
        577.51   6.449    149
        575.39   6.425     82
        348.41   3.891    906
        346.14   3.865   1000
        339.55   3.792     23
    

in CDCl3

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CCl4 solution

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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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