Octylamine(111-86-4) MS
Product NameOctylamine
CAS111-86-4
Molecular FormulaC8H19N
Molecular Weight129.24
InChIInChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey IOQPZZOEVPZRBK-UHFFFAOYSA-N
SmilesC(N)CCCCCCC
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MassMS-NW-0666 octylamine C8H19N (Mass of molecular ion: 129)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 3.9 27.0 2.6 28.0 1.7 29.0 3.1 30.0 100.0 31.0 1.9 39.0 1.7 41.0 5.3 42.0 2.0 43.0 3.5 44.0 5.5 45.0 5.4 55.0 2.8 56.0 2.3 57.0 1.1 59.0 1.0 69.0 1.9 70.0 1.2 72.0 1.0 86.0 2.3 100.0 1.0 140.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H19 N 0.04 ml : 0.5 ml CDCl3 octylamine 
Assign. Shift(ppm)
A 2.68 B 1.69 C 1.43 D 1.28 E 0.881
Hz ppm Int.246.19 2.749 46 244.94 2.735 52 244.56 2.731 53 243.56 2.720 58 242.63 2.710 66 240.06 2.681 93 236.56 2.642 61 236.25 2.638 60 235.88 2.634 60 235.25 2.627 62 234.69 2.621 64 234.19 2.615 64 233.31 2.606 61 232.31 2.594 51 151.06 1.687 127 141.13 1.576 46 138.19 1.543 46 137.13 1.532 53 136.31 1.522 59 135.88 1.518 62 135.56 1.514 62 134.63 1.504 62 134.25 1.499 62 133.56 1.492 62 132.13 1.476 68 128.19 1.432 109 126.81 1.416 117 114.50 1.279 1000 104.19 1.164 63 102.88 1.149 49 84.00 0.938 129 82.44 0.921 117 78.94 0.882 372 75.00 0.838 73 74.63 0.834 71 72.81 0.813 91
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
