BIS(4-CHLOROBUTYL) ETHER(6334-96-9) Raman
Product NameBIS(4-CHLOROBUTYL) ETHER
CAS6334-96-9
Molecular FormulaC8H16Cl2O
Molecular Weight199.12
InChIInChI=1S/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
InChIKey PVBMXMKIKMJQRK-UHFFFAOYSA-N
SmilesO(CCCCCl)CCCCCl
-
MassMS-NW-3320 bis(4-chlorobutyl) ether C8H16Cl2O (Mass of molecular ion: 198)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.4 27.0 9.8 28.0 2.4 29.0 11.5 31.0 4.4 36.0 1.2 39.0 6.2 40.0 1.2 41.0 11.5 42.0 9.8 43.0 4.3 44.0 2.4 45.0 1.1 49.0 2.2 53.0 2.3 54.0 1.7 55.0 77.5 56.0 4.6 62.0 1.8 63.0 3.7 65.0 1.2 71.0 5.4 72.0 2.0 73.0 2.6 89.0 1.0 90.0 1.8 91.0 100.0 92.0 5.0 93.0 33.4 94.0 1.4 107.0 1.1 121.0 4.7 123.0 1.6 198.0 1.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H16 Cl2 O 0.04 ml : 0.5 ml CDCl3 bis(4-chlorobutyl) ether 
Assign. Shift(ppm)
A *1 3.56 B *1 3.45 C 2.04 to 1.53
Hz ppm Int.327.50 3.657 38 325.81 3.638 331 321.81 3.594 153 320.88 3.583 230 319.31 3.566 1000 315.81 3.527 109 313.81 3.504 555 313.06 3.496 640 310.75 3.470 167 307.88 3.438 901 305.69 3.414 206 302.00 3.373 364 182.50 2.038 32 179.81 2.008 40 176.69 1.973 54 174.56 1.950 86 173.00 1.932 113 170.94 1.909 144 167.94 1.876 218 166.06 1.855 233 164.38 1.836 305 161.75 1.807 406 160.81 1.796 396 159.25 1.779 536 157.94 1.764 437 156.63 1.749 405 154.56 1.726 323 152.94 1.708 255 152.19 1.700 250 151.19 1.689 205 148.38 1.657 166 146.25 1.633 151 144.81 1.617 96 143.25 1.600 57 142.88 1.596 60 142.19 1.588 67 139.81 1.562 42
in CDCl3
liquid film
4880 A,200 M,liquid
