4，4′-Dimethyldioxane-1，3(766-15-4) MS
Product Name4，4′-Dimethyldioxane-1，3
CAS766-15-4
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3
InChIKey GDKSTFXHMBGCPG-UHFFFAOYSA-N
SmilesO1CCC(C)(C)OC1
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MassMS-IW-3506 4,4-dimethyl-1,3-dioxane C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 4.7 18.0 3.1 26.0 2.0 27.0 13.4 28.0 19.8 29.0 18.2 30.0 3.7 31.0 24.2 38.0 1.4 39.0 14.9 40.0 3.3 41.0 49.1 42.0 6.7 43.0 100.0 44.0 6.1 45.0 4.6 46.0 3.1 50.0 1.0 51.0 1.2 53.0 3.9 55.0 7.0 56.0 23.5 57.0 8.3 58.0 53.4 59.0 81.6 60.0 3.2 61.0 1.4 67.0 2.4 68.0 2.9 69.0 53.9 70.0 3.6 71.0 79.3 72.0 6.2 73.0 5.4 74.0 1.1 85.0 3.2 86.0 40.4 87.0 2.9 89.0 3.2 101.0 69.0 102.0 3.8 103.0 2.5 115.0 4.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O2 0.05 ml : 0.5 ml CDCl3 4,4-dimethyl-1,3-dioxane 
Assign. Shift(ppm)
A 4.875 B 3.889 C 1.658 D 1.295
Hz ppm Int.1948.24 4.875 562 1560.30 3.905 213 1557.37 3.897 50 1555.54 3.893 116 1554.69 3.891 191 1553.71 3.888 130 1551.88 3.884 57 1549.07 3.877 218 668.33 1.673 151 665.41 1.665 38 662.72 1.659 161 660.03 1.652 43 657.10 1.645 147 517.82 1.296 1000 508.79 1.274 45 501.46 1.255 22
in CDCl3
liquid film
