3-Methyl butynol (115-19-5) 13C NMR
Product Name3-Methyl butynol
CAS115-19-5
Molecular FormulaC5H8O
Molecular Weight84.12
InChIInChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
InChIKey CEBKHWWANWSNTI-UHFFFAOYSA-N
SmilesCC(C)(O)C#C
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MassMS-NW-0792 2-methyl-3-butyn-2-ol C5H8O (Mass of molecular ion: 84)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.5 25.0 2.2 26.0 10.3 27.0 3.9 28.0 1.6 29.0 1.6 31.0 1.3 37.0 2.2 38.0 3.3 39.0 13.7 40.0 3.3 41.0 10.3 42.0 2.8 43.0 60.7 44.0 1.7 49.0 1.1 50.0 4.4 51.0 5.7 52.0 1.0 53.0 4.6 55.0 2.1 56.0 1.4 57.0 1.3 58.0 7.9 62.0 1.3 63.0 1.5 65.0 4.0 66.0 4.3 67.0 3.4 69.0 100.0 70.0 4.6 83.0 6.7
parameter in CDCl3
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1H NMR 300 MHz C5 H8 O 0.04 ml : 0.5 ml CDCl3 2-methyl-3-butyn-2-ol 
Parameter ppm Hz
D(A) 2.426 D(B) 2.37 D(C) 1.533
Hz ppm Int.727.80 2.426 167 711.00 2.370 139 459.90 1.533 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
