2-AMINOOCTANE(693-16-3) MS
Product Name2-AMINOOCTANE
CAS693-16-3
Molecular FormulaC8H19N
Molecular Weight129.24
InChIInChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3
InChIKey HBXNJMZWGSCKPW-UHFFFAOYSA-N
SmilesCC(N)CCCCCC
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MassMS-NW-3532 1-methylheptylamine C8H19N (Mass of molecular ion: 129)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 4.9 27.0 2.3 28.0 1.5 29.0 2.4 30.0 7.2 39.0 1.3 41.0 3.3 42.0 2.8 43.0 3.4 44.0 100.0 45.0 2.6 55.0 3.0 56.0 1.4 114.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H19 N 0.04 ml : 0.5 ml CDCl3 1-methylheptylamine 
Assign. Shift(ppm)
A 2.84 B 1.55 C 1.29 D 1.049 E 0.884
Hz ppm Int.253.75 2.834 30 253.38 2.830 30 253.00 2.825 30 138.81 1.550 142 130.13 1.453 30 128.75 1.438 31 127.88 1.428 32 127.38 1.423 33 115.31 1.288 1000 110.19 1.231 135 104.13 1.163 43 103.06 1.151 39 101.38 1.132 35 101.06 1.129 34 100.63 1.124 33 100.38 1.121 33 99.38 1.110 34 97.06 1.084 776 93.00 1.039 41 90.81 1.014 722 84.06 0.939 111 81.94 0.915 89 81.50 0.911 88 79.19 0.885 303 73.06 0.816 68
in CDCl3
liquid film
