Ethylene Glycol Bis(propionitrile) Ether(3386-87-6) IR2
Product NameEthylene Glycol Bis(propionitrile) Ether
CAS3386-87-6
Molecular FormulaC8H12N2O2
Molecular Weight168.19
InChIInChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
InChIKey VTHRQKSLPFJQHN-UHFFFAOYSA-N
SmilesC(OCCC#N)COCCC#N
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MassMS-NW-1107 3,3'-(ethylenedioxy)dipropionitrile C8H12N2O2 (Mass of molecular ion: 168)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.4 18.0 1.2 26.0 3.1 27.0 8.5 28.0 7.6 29.0 4.5 31.0 14.2 40.0 1.4 41.0 2.8 42.0 1.7 43.0 3.7 44.0 2.7 45.0 18.9 52.0 3.0 53.0 2.1 54.0 100.0 55.0 7.1 57.0 1.4 68.0 2.8 70.0 1.5 72.0 1.8 84.0 41.4 85.0 3.6 97.0 11.8 98.0 14.6 99.0 3.6 128.0 1.4 138.0 1.6 141.0 6.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H12 N2 O2 0.04 ml : 0.5 ml CDCl3 3,3'-(ethylenedioxy)dipropionitrile 
Assign. Shift(ppm)
A 3.73 B 3.687 C 2.639
Hz ppm Int.340.94 3.807 154 334.44 3.735 351 332.38 3.712 31 330.19 3.687 1000 328.44 3.668 231 242.19 2.705 198 236.06 2.636 369 229.81 2.566 149
in CDCl3
CCl4 solution
liquid film
