Triethylenediamine(280-57-9) IR2
Product NameTriethylenediamine
CAS280-57-9
Molecular FormulaC6H12N2
Molecular Weight112.17
InChIInChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
InChIKey IMNIMPAHZVJRPE-UHFFFAOYSA-N
SmilesN12CCN(CC1)CC2
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MassMS-NW-1392 1,4-diazabicyclo(2.2.2)octane C6H12N2 (Mass of molecular ion: 112)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 13.3 18.0 1.3 26.0 3.1 27.0 11.4 28.0 23.4 29.0 18.3 30.0 10.7 39.0 1.6 40.0 1.8 41.0 12.1 42.0 100.0 43.0 4.2 44.0 8.2 54.0 7.7 55.0 82.8 56.0 37.8 57.0 54.2 58.0 28.9 59.0 1.2 68.0 2.7 69.0 7.7 70.0 16.6 71.0 1.1 82.0 5.1 83.0 7.4 84.0 12.2 85.0 2.6 97.0 3.1 111.0 2.6 112.0 66.8 113.0 5.4
parameter in CDCl3
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1H NMR 300 MHz C6 H12 N2 0.051 g : 0.5 ml CDCl3 1,4-diazabicyclo(2.2.2)octane 
Parameter ppm Hz
D(A) 2.786
Hz ppm Int.835.80 2.786 1000
in CDCl3
KBr disc
nujol mull
CATION RADICAL, ELECTROOXIDATION IN CH3CN
