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487-68-3

2,4,6-三甲基苯甲醛(487-68-3)质谱(MS)

分子式:C10H12O

分子量: 148.2

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

InChIKey: HIKRJHFHGKZKRI-UHFFFAOYSA-N

Smiles:C(=O)C1=C(C)C=C(C)C=C1C

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    Mass

    MS-IW-4194          
    2,4,6-trimethylbenzaldehyde
    C10H12O             (Mass of molecular ion:    148)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.5
          39.0       3.6
          41.0       5.0
          51.0       3.3
          52.0       1.0
          53.0       2.0
          63.0       1.6
          65.0       3.5
          74.0       1.3
          77.0       8.9
          78.0       2.9
          79.0       4.2
          91.0      14.8
          92.0       1.4
          93.0       1.8
         103.0       5.4
         104.0       3.5
         105.0       9.5
         115.0       4.2
         116.0       1.0
         117.0       6.9
         118.0       2.9
         119.0      64.6
         120.0       8.1
         121.0       4.4
         135.0       1.2
         136.0       3.3
         146.0       3.8
         147.0     100.0
         148.0      77.7
         149.0       8.3
         164.0       4.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H12 O 0.05 ml : 0.5 ml CDCl3
    2,4,6-trimethylbenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.515 B 6.856 C 2.542 D 2.284

         Hz     ppm     Int.
    

       4202.57  10.516    408
       2740.17   6.857    373
       1016.24   2.543   1000
        912.93   2.285    662
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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