Diethyleneglycol diacetate(628-68-2) 13C NMR
Product NameDiethyleneglycol diacetate
CAS628-68-2
Molecular FormulaC8H14O5
Molecular Weight190.19
InChIInChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3
InChIKey UBPGILLNMDGSDS-UHFFFAOYSA-N
SmilesO(CCOC(=O)C)CCOC(=O)C
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MassMS-IW-5624 diethylene glycol diacetate C8H14O5 (Mass of molecular ion: 190)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.7 28.0 1.7 29.0 1.0 42.0 2.3 43.0 79.7 44.0 2.9 45.0 3.0 58.0 1.1 61.0 2.1 70.0 2.2 73.0 2.0 87.0 100.0 88.0 5.4 117.0 3.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O5 0.04 ml : 0.5 ml CDCl3 diethylene glycol diacetate 
Assign. Shift(ppm)
A 2.084 B 3.71 C 4.23
Hz ppm Int.383.75 4.285 71 382.44 4.271 32 379.19 4.234 94 377.50 4.216 53 376.81 4.208 37 374.19 4.179 126 336.00 3.752 138 333.56 3.725 45 332.75 3.716 68 331.19 3.698 101 330.31 3.689 76 329.50 3.680 44 326.75 3.649 79 326.38 3.645 77 186.69 2.085 1000
in CDCl3
CCl4 solution
liquid film
