ETHYLTRI-N-PROPYLAMMONIUM IODIDE(15066-80-5) MS
Product NameETHYLTRI-N-PROPYLAMMONIUM IODIDE
CAS15066-80-5
Molecular FormulaC11H26IN
Molecular Weight299.24
InChIInChI=1S/C11H26N.HI/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKey ZLHWTGZMAWUUMD-UHFFFAOYSA-M
Smiles[N+](CC)(CCC)(CCC)CCC.[I-]
-
MassMS-NW-0499 ethyltripropylammonium iodide C11H26IN (Mass of molecular ion: 299)
Source Temperature: 220 °C Sample Temperature: 230 °C Direct, 75 eV
15.0 3.7 18.0 4.9 26.0 3.1 27.0 35.3 28.0 6.4 29.0 15.1 30.0 18.8 38.0 1.2 39.0 9.5 40.0 1.8 41.0 35.1 42.0 11.5 43.0 76.1 44.0 6.7 54.0 1.5 55.0 2.0 56.0 4.3 57.0 3.2 58.0 33.5 59.0 1.2 67.0 1.3 68.0 1.4 69.0 2.2 70.0 2.3 71.0 1.3 72.0 20.4 73.0 1.1 81.0 1.3 82.0 1.0 83.0 1.2 84.0 3.6 85.0 1.2 86.0 10.3 98.0 2.1 100.0 100.0 101.0 8.5 112.0 1.0 114.0 53.5 115.0 5.4 127.0 8.0 128.0 3.6 129.0 7.6 141.0 1.9 143.0 4.4 156.0 13.6 170.0 20.4 172.0 1.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C11 H26 I N 0.046 g : 0.5 ml CDCl3 ethyltripropylammonium iodide 
Assign. Shift(ppm)
A 3.51 B 3.34 C 1.80 D 1.40 E 1.072 J(A,D)=7.3HZ J(C,E)=7.0HZ
Hz ppm Int.329.44 3.679 47 321.94 3.595 165 314.63 3.514 180 307.88 3.438 296 302.81 3.382 161 300.06 3.351 195 299.25 3.342 205 294.81 3.292 153 291.00 3.250 328 172.94 1.931 107 171.13 1.911 49 170.75 1.907 50 165.69 1.851 149 165.38 1.847 149 163.38 1.825 104 162.75 1.818 104 161.50 1.804 112 161.13 1.800 115 160.00 1.787 106 159.50 1.781 107 157.31 1.757 141 156.56 1.749 147 154.19 1.722 97 150.19 1.677 90 148.75 1.661 107 132.63 1.481 85 131.44 1.468 71 131.13 1.465 72 127.00 1.419 114 125.44 1.401 163 123.94 1.384 126 123.63 1.381 126 119.44 1.334 63 118.25 1.321 77 116.31 1.299 57 102.44 1.144 539 98.81 1.104 73 98.38 1.099 73 95.44 1.066 1000 91.63 1.024 87 88.06 0.984 319
in CDCl3
KBr disc
nujol mull
