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86-51-1

2,3-二甲氧基苯甲醛(86-51-1)Raman光谱

分子式:C9H10O3

分子量: 166.17

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

InChIKey: JIVGSHFYXPRRSZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8779          
    2,3-dimethoxybenzaldehyde
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.8
          26.0       1.5
          27.0       1.4
          28.0       2.8
          29.0       2.8
          37.0       1.4
          38.0       3.1
          39.0       7.6
          41.0       8.4
          43.0       1.8
          50.0       8.8
          51.0      18.9
          52.0      14.7
          53.0       7.3
          54.0       1.1
          55.0       4.7
          61.0       1.1
          62.0       3.4
          63.0       9.0
          64.0       4.3
          65.0      18.6
          66.0       2.2
          67.0       8.3
          69.0       1.4
          74.0       2.0
          75.0       2.4
          76.0      26.0
          77.0      31.3
          78.0       8.6
          79.0      10.0
          80.0      10.1
          81.0       1.6
          90.0      10.3
          91.0       6.8
          92.0       6.9
          93.0      12.1
          94.0       2.9
          95.0      16.3
          96.0       1.1
         104.0       7.8
         105.0      13.6
         106.0       7.5
         107.0      14.0
         108.0      18.4
         109.0       9.1
         118.0       2.2
         119.0       8.1
         120.0      18.6
         121.0      10.6
         122.0      11.0
         123.0      14.1
         124.0       2.5
         133.0       8.9
         134.0       1.2
         135.0       6.0
         136.0      12.6
         137.0      13.3
         138.0       2.6
         147.0       2.4
         148.0      27.8
         149.0      13.0
         150.0       3.9
         151.0      27.0
         152.0       2.5
         165.0      13.4
         166.0     100.0
         167.0      10.9
         168.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O3 0.044 g : 0.5 ml CDCl3
    2,3-dimethoxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.43 B 7.40 C 7.15 D 7.10 E 3.988 F 3.907

         Hz     ppm     Int.
    

        934.42  10.434    115
        933.91  10.428    125
        668.85   7.469     43
        664.82   7.424     29
        663.28   7.406     50
        659.33   7.362     86
        641.31   7.161    158
        637.57   7.119     61
        636.04   7.102     52
        635.38   7.095     52
        357.13   3.988   1000
        355.66   3.972     32
        355.22   3.967     30
        349.88   3.907    656
        348.05   3.887     35
    

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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