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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>7580-12-3更多圖譜> 2,4,6-三異丙基-1,3,5-三氧雜環(huán)己烷(7580-12-3)質(zhì)譜(MS)

7580-12-3

2,4,6-三異丙基-1,3,5-三氧雜環(huán)己烷(7580-12-3)質(zhì)譜(MS)

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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

2,4,6-三異丙基-1,3,5-三氧雜環(huán)己烷(7580-12-3)質(zhì)譜(MS)相關(guān)產(chǎn)品圖譜

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