4,6-DIMETHYL-2-ETHYL-1,3,5-TRIOXANE(24261-86-7) IR1
Product Name4,6-DIMETHYL-2-ETHYL-1,3,5-TRIOXANE
CAS24261-86-7
Molecular FormulaC7H14O3
Molecular Weight146.18
InChIInChI=1S/C7H14O3/c1-4-7-9-5(2)8-6(3)10-7/h5-7H,4H2,1-3H3
InChIKey HOPPIMJVASWGPL-UHFFFAOYSA-N
SmilesC1(CC)OC(C)OC(C)O1
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MassMS-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 
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
liquid film
