3,3-DIMETHYL-2-BUTANOL(464-07-3) IR2
Product Name3,3-DIMETHYL-2-BUTANOL
CAS464-07-3
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3
InChIKey DFOXKPDFWGNLJU-UHFFFAOYSA-N
SmilesCC(O)C(C)(C)C
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MassMS-NW-1199 3,3-dimethyl-2-butanol C6H14O (Mass of molecular ion: 102)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.7 18.0 1.6 19.0 1.9 27.0 10.4 28.0 2.9 29.0 24.8 31.0 1.6 39.0 10.0 40.0 1.7 41.0 58.4 42.0 3.2 43.0 9.1 44.0 4.1 45.0 83.4 46.0 1.9 47.0 1.0 53.0 2.1 55.0 4.6 56.0 54.5 57.0 100.0 58.0 4.5 59.0 1.4 69.0 27.7 70.0 1.7 71.0 1.9 84.0 1.3 87.0 25.9 88.0 1.4 102.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 3,3-dimethyl-2-butanol 
Assign. Shift(ppm)
A 3.465 B 1.63 C 1.117 D 0.892
Hz ppm Int.313.75 3.504 33 307.38 3.433 34 145.69 1.627 63 103.13 1.152 205 96.69 1.080 188 81.69 0.913 24 79.88 0.892 1000 77.75 0.869 41
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
