Diethylenetriamine(111-40-0) 13C NMR
Product NameDiethylenetriamine
CAS111-40-0
Molecular FormulaC4H13N3
Molecular Weight103.17
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
InChIKey RPNUMPOLZDHAAY-UHFFFAOYSA-N
SmilesC(NCCN)CN
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MassMS-NW-8896 bis(2-aminoethyl)amine C4H13N3 (Mass of molecular ion: 103)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.5 18.0 11.1 27.0 1.8 28.0 6.8 29.0 2.2 30.0 24.2 41.0 1.8 42.0 7.0 43.0 5.9 44.0 100.0 45.0 3.4 55.0 1.2 56.0 10.6 57.0 1.9 58.0 1.4 70.0 1.3 71.0 1.0 73.0 70.4 74.0 4.1 84.0 1.0 86.0 3.2 87.0 1.0 99.0 2.5 104.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H13 N3 0.04 ml : 0.5 ml CDCl3 bis(2-aminoethyl)amine 
Assign. Shift(ppm)
A 2.79 B 2.69 C 1.23
Hz ppm Int.258.94 2.892 40 255.75 2.856 76 251.75 2.811 52 250.88 2.802 171 250.06 2.793 150 249.25 2.784 76 247.06 2.759 258 246.31 2.751 297 243.63 2.721 293 242.81 2.712 260 240.63 2.687 74 239.88 2.679 147 239.00 2.669 168 238.19 2.660 61 234.13 2.615 73 231.00 2.580 40 109.69 1.225 1000
in CDCl3
liquid film
4880 A,200 M,liquid
