3-Methyl-3-methoxybutanol(56539-66-3) IR2
Product Name3-Methyl-3-methoxybutanol
CAS56539-66-3
Molecular FormulaC6H14O2
Molecular Weight118.17
InChIInChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
InChIKey MFKRHJVUCZRDTF-UHFFFAOYSA-N
SmilesC(O)CC(OC)(C)C
-
MassMS-NW-1307 3-methoxy-3-methyl-1-butanol C6H14O2 (Mass of molecular ion: 118)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.7 27.0 4.8 28.0 1.6 29.0 6.2 31.0 8.5 33.0 9.2 39.0 5.1 40.0 1.3 41.0 20.0 42.0 2.5 43.0 8.4 45.0 5.4 53.0 4.7 55.0 4.9 56.0 5.2 57.0 3.1 59.0 1.6 67.0 1.2 68.0 1.3 69.0 8.6 71.0 3.9 73.0 100.0 74.0 4.4 85.0 6.7 103.0 10.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H14 O2 0.04 ml : 0.5 ml CDCl3 3-methoxy-3-methyl-1-butanol 
Assign. Shift(ppm)
A 3.774 B 3.217 C 3.20 D 1.757 E 1.226
Hz ppm Int.344.06 3.842 93 338.25 3.777 148 332.19 3.710 106 288.13 3.218 770 286.19 3.196 159 162.94 1.820 73 156.94 1.753 107 151.06 1.687 61 109.81 1.227 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
