Diethylene glycol(111-46-6) MS
Product NameDiethylene glycol
CAS111-46-6
Molecular FormulaC4H10O3
Molecular Weight106.12
InChIInChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey MTHSVFCYNBDYFN-UHFFFAOYSA-N
SmilesO(CCO)CCO
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MassMS-NW-5521 2,2'-oxydiethanol C4H10O3 (Mass of molecular ion: 106)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.6 18.0 1.9 19.0 6.8 26.0 1.1 27.0 10.6 28.0 4.3 29.0 9.8 31.0 10.9 42.0 1.5 43.0 10.0 44.0 10.2 45.0 100.0 46.0 2.8 47.0 1.9 58.0 1.6 75.0 23.9 76.0 11.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 O3 0.04 ml : 0.5 ml CDCl3 2,2'-oxydiethanol 
Assign. Shift(ppm)
A 4.47 B 3.718 C 3.596 400MHZ : HSP-40-503
Hz ppm Int.
400.13 4.468 1000 339.81 3.795 75 338.19 3.777 96 336.50 3.758 108 335.31 3.744 142 334.19 3.732 151 332.94 3.718 188 330.75 3.694 333 330.06 3.686 349 325.25 3.632 333 324.56 3.624 350 322.38 3.600 199 321.13 3.586 155 320.00 3.574 153 318.81 3.560 115 317.13 3.541 104 315.50 3.523 83
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1H NMR 399.65 MHz C4 H10 O3 0.04 ml : 0.5 ml CDCl3 2,2'-oxydiethanol Assign. Shift(ppm)
A 4.51 B 3.74 C 3.596 90MHZ : HSP-03-854
Hz ppm Int.
1803.59 4.513 201 1494.14 3.739 409 1458.86 3.651 28 1440.92 3.606 1000 1439.45 3.602 349 1437.74 3.598 553 1436.28 3.594 731 1435.42 3.592 559 1433.59 3.588 259 1432.01 3.584 634
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
