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)

产品名称:2,4,6-三异丙基-1,3,5-三氧杂环己烷

CAS:7580-12-3

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

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

¹H NMR	300 MHz
C₁₂ H₂₄ O₃	0.046 g : 0.5 ml CDCl₃
2,4,6-triisopropyl-1,3,5-trioxane

    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