2,4,6-TRIPROPAN-2-YL-1,3,5-TRIOXANE(7580-12-3) IR1
Product Name2,4,6-TRIPROPAN-2-YL-1,3,5-TRIOXANE
CAS7580-12-3
Molecular FormulaC12H24O3
Molecular Weight216.32
InChIInChI=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
SmilesO1C(C(C)C)OC(C(C)C)OC1C(C)C
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MassMS-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 
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
KBr disc
nujol mull
