2-(HEXYLOXY)ETHANOL(112-25-4) MS
Product Name2-(HEXYLOXY)ETHANOL
CAS112-25-4
Molecular FormulaC8H18O2
Molecular Weight146.23
InChIInChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
InChIKey UPGSWASWQBLSKZ-UHFFFAOYSA-N
SmilesC(O)COCCCCCC
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MassMS-NW-4281 2-(hexyloxy)ethanol C8H18O2 (Mass of molecular ion: 146)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.3 19.0 1.3 27.0 9.8 28.0 2.3 29.0 9.8 31.0 5.5 39.0 4.3 41.0 18.8 42.0 5.9 43.0 100.0 44.0 3.6 45.0 42.4 46.0 1.0 52.0 1.3 55.0 12.3 56.0 15.4 57.0 16.0 63.0 14.3 69.0 4.1 73.0 1.2 75.0 9.2 79.0 2.0 83.0 16.5 84.0 11.2 85.0 64.6 86.0 4.4 99.0 1.4 115.0 6.3 117.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 O2 0.04 ml : 0.5 ml CDCl3 2-(hexyloxy)ethanol 
Assign. Shift(ppm)
A 3.72 B 3.52 C 3.48 D 2.51 E 1.59 F 1.49 to 1.16 G 0.90
Hz ppm Int.339.25 3.788 177 338.00 3.775 204 334.56 3.736 352 334.00 3.730 326 332.63 3.715 303 330.81 3.694 243 329.81 3.683 563 329.25 3.677 539 320.63 3.581 568 319.81 3.571 576 318.81 3.560 280 317.13 3.541 615 315.88 3.528 412 315.19 3.520 445 314.38 3.511 303 313.56 3.502 237 311.00 3.473 1000 304.50 3.400 469 224.81 2.511 635 142.44 1.591 189 117.31 1.310 713 85.31 0.953 270 79.81 0.892 853 77.63 0.867 188 74.00 0.827 159
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
