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返回ChemicalBook首页>CAS数据库列表>7580-12-3更多图谱> 2,4,6-三异丙基-1,3,5-三氧杂环己烷(7580-12-3)红外图谱(IR2)

7580-12-3

2,4,6-三异丙基-1,3,5-三氧杂环己烷(7580-12-3)红外图谱(IR2)

分子式:C12H24O3

分子量: 216.32

InChI:InChI=1S/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3

InChIKey: XYIANCZIPATGDH-UHFFFAOYSA-N

Smiles:O1C(C(C)C)OC(C(C)C)OC1C(C)C

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    Mass

    MS-IW-3539          
    2,4,6-triisopropyl-1,3,5-trioxane
    C12H24O3            (Mass of molecular ion:    216)
    

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

          27.0       5.2
          28.0       1.1
          29.0       3.4
          31.0       1.8
          39.0       2.7
          41.0       9.5
          42.0       1.7
          43.0      25.3
          44.0       1.0
          45.0       2.7
          55.0      14.4
          56.0       2.0
          57.0       4.2
          71.0      13.1
          72.0       4.7
          73.0     100.0
          74.0       5.1
          88.0       1.1
         101.0       1.9
         143.0       3.1
         145.0      19.2
         146.0       1.7
         173.0       2.1
    

parameter in CDCl3

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    1H NMR 300 MHz
    C12 H24 O3 0.046 g : 0.5 ml CDCl3
    2,4,6-triisopropyl-1,3,5-trioxane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.499 D(B) 1.856 D(C) 0.942 J(A,B) 5.5 J(A,C) 0.0 J(B,C) 6.8

         Hz     ppm     Int.
    

       1352.46   4.508    170
       1346.98   4.490    173
        573.34   1.911     14
        567.79   1.893     17
        566.52   1.888     33
        560.97   1.870     37
        559.76   1.866     47
        554.21   1.847     48
        552.93   1.843     39
        547.38   1.825     36
        546.17   1.821     19
        540.65   1.802     16
        285.97   0.953   1000
        279.18   0.931    944
    

in CDCl3

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KBr disc

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nujol mull

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