Diethylene glycol monobutyl ether(112-34-5) IR2
Product NameDiethylene glycol monobutyl ether
CAS112-34-5
Molecular FormulaC8H18O3
Molecular Weight162.23
InChIInChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
InChIKey OAYXUHPQHDHDDZ-UHFFFAOYSA-N
SmilesC(O)COCCOCCCC
-
MassMS-NW-5513 diethylene glycol monobutyl ether C8H18O3 (Mass of molecular ion: 162)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.3 18.0 2.1 19.0 2.9 26.0 1.4 27.0 12.2 28.0 9.3 29.0 29.6 30.0 1.4 31.0 10.1 33.0 1.5 39.0 4.1 41.0 31.7 42.0 2.3 43.0 6.8 44.0 8.8 45.0 99.1 46.0 2.4 55.0 6.1 56.0 18.0 57.0 100.0 58.0 5.3 59.0 9.5 60.0 6.3 61.0 2.8 62.0 3.6 63.0 1.6 69.0 1.2 71.0 4.3 72.0 8.0 73.0 4.8 75.0 20.5 76.0 1.4 77.0 2.4 85.0 5.0 87.0 11.1 88.0 2.0 89.0 9.1 90.0 1.3 100.0 7.1 101.0 5.6 131.0 2.5 132.0 3.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H18 O3 0.04 ml : 0.5 ml CDCl3 diethylene glycol monobutyl ether 
Assign. Shift(ppm)
A 3.82 to 3.43 B 3.47 C 2.98 D 1.55 E 1.35 F 0.93
Hz ppm Int.339.81 3.795 87 337.69 3.771 142 336.88 3.762 123 336.06 3.753 102 335.56 3.747 106 334.69 3.738 184 333.50 3.724 257 332.56 3.714 343 330.44 3.690 608 329.88 3.684 641 328.31 3.666 280 327.06 3.652 851 325.69 3.637 958 324.31 3.622 1000 322.63 3.603 518 321.63 3.592 321 319.75 3.571 268 317.69 3.548 264 317.13 3.541 306 314.31 3.510 95 311.25 3.476 621 304.81 3.404 299 266.38 2.975 582 148.81 1.662 66 147.56 1.648 59 146.69 1.638 59 145.63 1.627 43 145.19 1.622 44 142.38 1.590 128 141.69 1.583 122 140.06 1.564 106 139.38 1.557 86 137.63 1.537 109 135.88 1.518 195 134.75 1.505 152 133.19 1.488 124 132.69 1.482 117 131.88 1.473 155 131.44 1.468 162 130.31 1.456 132 128.13 1.431 107 126.31 1.411 128 124.56 1.391 115 122.19 1.365 45 120.81 1.349 116 119.31 1.333 56 117.69 1.315 120 115.63 1.292 56 114.63 1.280 52 111.44 1.245 91 110.00 1.229 50 104.94 1.172 41 89.88 1.004 154 88.94 0.994 294 88.13 0.985 264 84.88 0.948 57 84.50 0.944 57 82.38 0.920 679 80.75 0.902 198 76.31 0.853 102 74.94 0.837 124 73.00 0.816 62
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
