Triethylene glycol monoethyl ether(112-50-5) IR2
Product NameTriethylene glycol monoethyl ether
CAS112-50-5
Molecular FormulaC8H18O4
Molecular Weight178.23
InChIInChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
InChIKey WFSMVVDJSNMRAR-UHFFFAOYSA-N
SmilesC(O)COCCOCCOCC
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MassMS-NW-4268 3,6,9-trioxa-1-undecanol C8H18O4 (Mass of molecular ion: 178)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.4 18.0 1.1 19.0 2.1 27.0 6.1 28.0 4.9 29.0 7.8 31.0 14.9 43.0 6.9 44.0 8.5 45.0 100.0 46.0 2.3 58.0 2.9 59.0 20.0 60.0 1.4 72.0 19.0 73.0 16.7 75.0 3.0 76.0 1.0 87.0 2.5 88.0 3.5 89.0 12.2 101.0 1.2 103.0 4.4 116.0 1.1 119.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 O4 0.04 ml : 0.5 ml CDCl3 3,6,9-trioxa-1-undecanol 
Assign. Shift(ppm)
A 3.84 to 3.52 B 3.54 C 2.93 D 1.218
Hz ppm Int.337.88 3.773 48 337.00 3.763 45 334.88 3.740 68 333.69 3.726 91 332.69 3.715 101 329.25 3.677 1000 326.94 3.651 333 325.56 3.636 355 324.56 3.624 340 323.31 3.610 201 322.50 3.601 107 320.19 3.576 201 317.94 3.551 37 313.00 3.495 164 306.13 3.419 60 262.63 2.933 229 115.69 1.292 178 108.75 1.215 376 101.75 1.137 152
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
