Diethanolamine(111-42-2) MS
Product NameDiethanolamine
CAS111-42-2
Molecular FormulaC4H11NO2
Molecular Weight105.14
InChIInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKey ZBCBWPMODOFKDW-UHFFFAOYSA-N
SmilesN(CCO)CCO
-
MassMS-NW-0596 2,2'-iminodiethanol C4H11NO2 (Mass of molecular ion: 105)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 5.0 17.0 2.3 18.0 11.6 19.0 2.7 26.0 1.3 27.0 7.3 28.0 14.5 29.0 5.9 30.0 44.4 31.0 4.2 41.0 3.4 42.0 10.6 43.0 5.5 44.0 5.5 45.0 16.3 54.0 1.7 55.0 1.2 56.0 51.2 57.0 3.8 58.0 1.9 60.0 1.5 72.0 1.5 74.0 100.0 75.0 3.9 86.0 2.3 105.0 1.1
in CDCl3
90 MHz in CDCl3
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-
1H NMR 89.56 MHz C4 H11 N O2 0.04 ml : 0.5 ml CDCl3 2,2'-iminodiethanol 
Assign. Shift(ppm)
A 4.20 B 3.677 C 2.745
Hz ppm Int.376.44 4.204 1000 334.75 3.738 348 330.00 3.685 496 324.63 3.625 455 250.75 2.800 433 245.44 2.741 493 240.69 2.688 352
in CDCl3
liquid film
4880 A,200 M,liquid
