1,11-Diaminoundecane(822-08-2) IR1
Product Name1,11-Diaminoundecane
CAS822-08-2
Molecular FormulaC11H26N2
Molecular Weight186.34
InChIInChI=1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2
InChIKey KLNPWTHGTVSSEU-UHFFFAOYSA-N
SmilesC(N)CCCCCCCCCCN
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MassMS-IW-2162 1,11-undecanediamine C11H26N2 (Mass of molecular ion: 186)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.6 18.0 16.4 27.0 2.1 28.0 4.4 29.0 2.9 30.0 100.0 31.0 2.8 39.0 1.9 41.0 8.5 42.0 2.8 43.0 5.8 44.0 35.0 45.0 9.9 54.0 1.1 55.0 9.8 56.0 11.7 57.0 2.3 58.0 1.3 59.0 5.2 67.0 1.9 68.0 1.3 69.0 6.3 70.0 4.2 72.0 5.1 73.0 3.8 81.0 1.3 82.0 1.4 83.0 3.7 84.0 3.1 86.0 9.9 87.0 2.7 95.0 1.0 96.0 1.2 97.0 2.0 98.0 1.7 100.0 7.4 101.0 1.3 111.0 1.2 112.0 1.2 114.0 6.6 115.0 1.5 128.0 6.8 129.0 1.2 140.0 1.3 142.0 9.9 143.0 2.0 156.0 4.4 157.0 17.4 158.0 2.1 170.0 14.6 171.0 1.9 185.0 1.5 186.0 5.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H26 N2 0.042 g : 0.5 ml CDCl3 1,11-undecanediamine 
Assign. Shift(ppm)
A 2.674 B 1.43 C 1.28
Hz ppm Int.1075.93 2.693 234 1068.97 2.675 405 1062.01 2.658 259 578.13 1.447 120 571.53 1.431 185 564.82 1.414 148 558.23 1.397 61 510.62 1.278 1000
in CDCl3
KBr disc
nujol mull
