1,8-Diaminooctane(373-44-4) 13C NMR
Product Name1,8-Diaminooctane
CAS373-44-4
Molecular FormulaC8H20N2
Molecular Weight144.26
InChIInChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKey PWGJDPKCLMLPJW-UHFFFAOYSA-N
SmilesC(N)CCCCCCCN
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MassMS-NW-4671 octamethylenediamine C8H20N2 (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 10.7 27.0 2.0 28.0 3.0 29.0 2.0 30.0 100.0 31.0 3.3 39.0 1.8 41.0 5.6 42.0 3.5 43.0 3.1 44.0 10.3 45.0 6.0 54.0 1.1 55.0 6.9 56.0 10.3 57.0 1.3 58.0 1.0 59.0 3.1 67.0 1.1 69.0 3.3 70.0 4.7 72.0 5.2 73.0 1.2 84.0 1.2 86.0 6.0 87.0 1.4 98.0 1.3 100.0 3.5 114.0 1.8 115.0 8.3 128.0 5.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H20 N2 0.049 g : 0.5 ml CDCl3 octamethylenediamine 
Assign. Shift(ppm)
A 2.67 B 1.43 C 1.32 D 1.09
Hz ppm Int.246.38 2.752 72 246.00 2.747 71 244.56 2.731 67 244.19 2.727 66 243.69 2.721 65 243.06 2.714 64 239.63 2.676 258 233.06 2.603 122 135.00 1.508 45 134.38 1.501 46 133.81 1.495 46 132.38 1.479 52 131.56 1.469 56 130.13 1.453 64 129.75 1.449 67 127.56 1.425 89 126.75 1.416 92 118.44 1.323 689 111.38 1.244 53 97.50 1.089 1000
in CDCl3
KBr disc
nujol mull
