Diethylene glycol diethyl ether(112-36-7) IR1
Product NameDiethylene glycol diethyl ether
CAS112-36-7
Molecular FormulaC8H18O3
Molecular Weight162.23
InChIInChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKey RRQYJINTUHWNHW-UHFFFAOYSA-N
SmilesO(CCOCC)CCOCC
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MassMS-NW-1357 3,6,9-trioxaundecane C8H18O3 (Mass of molecular ion: 162)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.9 19.0 2.0 27.0 8.8 28.0 5.4 29.0 17.9 31.0 27.7 41.0 1.7 43.0 9.9 44.0 7.8 45.0 100.0 46.0 2.4 59.0 43.7 60.0 1.7 72.0 46.5 73.0 41.7 74.0 2.0 89.0 2.0 90.0 1.6 101.0 1.1 103.0 5.6 116.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 O3 0.04 ml : 0.5 ml CDCl3 3,6,9-trioxaundecane 
Assign. Shift(ppm)
A 3.65 B 3.61 C 3.540 D 1.212
Hz ppm Int.335.44 3.746 27 333.94 3.729 22 333.81 3.728 22 331.81 3.705 55 328.88 3.673 130 326.50 3.646 398 325.19 3.631 745 324.56 3.624 757 323.25 3.610 401 320.81 3.583 170 319.75 3.571 482 318.00 3.551 77 315.81 3.527 27 314.31 3.510 38 312.69 3.492 498 305.88 3.416 148 115.25 1.287 486 108.31 1.210 1000 101.25 1.131 410
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
