Octyltrimethylammonium chloride(10108-86-8) MS
Product NameOctyltrimethylammonium chloride
CAS10108-86-8
Molecular FormulaC11H26ClN
Molecular Weight207.79
InChIInChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKey AQZSPJRLCJSOED-UHFFFAOYSA-M
SmilesC([N+](C)(C)C)CCCCCCC.[Cl-]
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MassMS-NW-1971 trimethyloctylammonium chloride C11H26ClN (Mass of molecular ion: 207)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 3.3 27.0 1.3 29.0 2.2 30.0 1.3 41.0 2.7 42.0 2.9 43.0 2.4 44.0 1.7 45.0 1.4 50.0 6.1 52.0 2.1 55.0 1.5 57.0 1.5 58.0 100.0 59.0 4.5 91.0 1.3 157.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H26 Cl N 0.046 g : 0.5 ml CDCl3 trimethyloctylammonium chloride 
Assign. Shift(ppm)
A 3.63 B 3.472 C 1.76 D 1.54 to 1.05 E 0.88
Hz ppm Int.331.69 3.704 31 324.50 3.624 43 314.94 3.517 63 310.94 3.472 1000 116.00 1.296 186 113.69 1.270 163 113.19 1.264 162 112.81 1.260 162 112.69 1.259 162 83.88 0.937 40 83.63 0.934 40 82.88 0.926 37 82.50 0.922 37 81.63 0.912 35 81.31 0.908 34 81.06 0.906 34 80.63 0.901 34 78.63 0.878 134
in CDCl3
KBr disc
