Di-n-butyl ether(142-96-1) MS
Product NameDi-n-butyl ether
CAS142-96-1
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey DURPTKYDGMDSBL-UHFFFAOYSA-N
SmilesO(CCCC)CCCC
-
MassMS-NW-0563 butyl ether C8H18O (Mass of molecular ion: 130)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 6.0 28.0 2.5 29.0 19.0 31.0 1.8 39.0 3.1 41.0 21.9 42.0 1.4 43.0 2.8 45.0 2.1 55.0 3.5 56.0 16.0 57.0 100.0 58.0 4.5 73.0 1.7 87.0 13.3 101.0 2.0 130.0 1.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H18 O 0.04 ml : 0.5 ml CDCl3 butyl ether 
Assign. Shift(ppm)
A 3.400 B 1.54 C 1.38 D 0.92
Hz ppm Int.311.00 3.473 290 309.31 3.454 113 304.56 3.401 937 302.00 3.373 69 298.31 3.331 408 152.75 1.706 51 150.00 1.675 43 148.75 1.661 57 148.56 1.659 57 146.19 1.633 116 144.25 1.611 102 140.13 1.565 195 139.06 1.553 224 137.69 1.538 182 136.69 1.527 242 133.69 1.493 348 132.56 1.481 292 131.50 1.469 271 130.44 1.457 229 129.56 1.447 260 128.13 1.431 227 127.19 1.421 206 126.25 1.410 219 124.75 1.393 186 122.50 1.368 80 120.94 1.351 166 119.63 1.336 112 117.69 1.315 169 115.88 1.294 68 115.13 1.286 81 114.63 1.280 81 111.50 1.245 117 109.75 1.226 60 105.69 1.181 51 104.81 1.171 61 89.63 1.001 261 88.81 0.992 435 85.94 0.960 146 84.81 0.947 111 82.25 0.919 1000 80.69 0.901 258 79.63 0.890 248 77.63 0.867 107 76.13 0.851 160 74.81 0.836 181 72.81 0.813 100
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
