Cyclooctylamine(5452-37-9) MS
Product NameCyclooctylamine
CAS5452-37-9
Molecular FormulaC8H17N
Molecular Weight127.23
InChIInChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2
InChIKey HSOHBWMXECKEKV-UHFFFAOYSA-N
SmilesC1(N)CCCCCCC1
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MassMS-NW-7688 cyclooctylamine C8H17N (Mass of molecular ion: 127)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.9 27.0 3.2 28.0 4.5 29.0 2.9 30.0 9.1 39.0 3.5 41.0 6.6 42.0 3.5 43.0 34.3 44.0 2.6 53.0 1.1 54.0 1.9 55.0 3.0 56.0 100.0 57.0 5.9 67.0 3.0 68.0 1.3 69.0 1.1 70.0 6.9 81.0 1.7 82.0 2.0 84.0 9.3 98.0 3.3 110.0 1.2 126.0 1.1 127.0 3.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H17 N 0.05 ml : 0.5 ml CDCl3 cyclooctylamine 
Assign. Shift(ppm)
A 2.92 B 1.76 C 1.53
Hz ppm Int.157.00 1.754 73 154.63 1.727 64 154.31 1.723 63 136.81 1.528 1000 126.75 1.416 136
in CDCl3
liquid film
4880 A,200 M,liquid
