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返回ChemicalBook首页>CAS数据库列表>24261-86-7更多图谱> 4,6-DIMETHYL-2-ETHYL-1,3,5-TRIOXANE(24261-86-7)红外图谱(IR1)

24261-86-7

4,6-DIMETHYL-2-ETHYL-1,3,5-TRIOXANE(24261-86-7)红外图谱(IR1)

分子式:C7H14O3

分子量: 146.18

InChI:InChI=1S/C7H14O3/c1-4-7-9-5(2)8-6(3)10-7/h5-7H,4H2,1-3H3

InChIKey: HOPPIMJVASWGPL-UHFFFAOYSA-N

Smiles:C1(CC)OC(C)OC(C)O1

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    Mass

    MS-IW-3520          
    2-ethyl-4,6-dimethyl-1,3,5-trioxane
    C7H14O3             (Mass of molecular ion:    146)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       4.8
          19.0       1.8
          26.0       1.7
          27.0      10.3
          28.0       6.3
          29.0      18.7
          30.0       1.3
          31.0      13.0
          39.0       1.6
          41.0       6.9
          42.0       3.4
          43.0      72.5
          44.0       7.0
          45.0     100.0
          46.0       4.7
          56.0       1.1
          57.0      42.1
          58.0       6.3
          59.0      90.0
          60.0       3.9
          73.0       1.6
          87.0       6.4
          89.0      37.8
          90.0       1.8
         101.0      22.8
         102.0       1.3
         103.0      19.4
         104.0       1.1
         117.0      11.4
         131.0       7.3
         145.0       6.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H14 O3 0.05 ml : 0.5 ml CDCl3
    2-ethyl-4,6-dimethyl-1,3,5-trioxane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.039 B 4.813 C 1.689 D 1.380 E 0.953 J(B,C)=5.3HZ J(C,E)=7.6HZ

         Hz     ppm     Int.
    

       2021.85   5.060    126
       2016.72   5.047    352
       2011.60   5.034    353
       2006.35   5.021    133
       1928.83   4.827    117
       1923.58   4.814    226
       1918.21   4.800    122
        689.33   1.725     65
        684.08   1.712     69
        681.76   1.706    205
        676.51   1.693    205
        674.19   1.687    217
        668.95   1.674    211
        666.63   1.669     87
        661.38   1.655     78
        554.08   1.387   1000
        550.90   1.379    106
        548.83   1.374    955
        388.55   0.973    383
        380.98   0.954    629
        373.29   0.935    346
    

in CDCl3

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liquid film

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