METHYL 2-BUTYNOATE(23326-27-4) MS
Product NameMETHYL 2-BUTYNOATE
CAS23326-27-4
Molecular FormulaC5H6O2
Molecular Weight98.1
InChIInChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3
InChIKey UJQCANQILFWSDJ-UHFFFAOYSA-N
SmilesC(OC)(=O)C#CC
-
MassMS-NW-7282 methyl 2-butynoate C5H6O2 (Mass of molecular ion: 98)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.2 28.0 1.2 29.0 1.8 37.0 4.8 38.0 6.5 39.0 15.5 40.0 1.0 53.0 1.2 54.0 1.1 55.0 1.2 66.0 3.9 67.0 100.0 68.0 5.5 69.0 2.6 70.0 10.1 98.0 3.7
parameter in CDCl3
-
1H NMR 300 MHz C5 H6 O2 0.05 ml : 0.5 ml CDCl3 methyl 2-butynoate 
Parameter ppm Hz
D(A) 3.753 D(B) 2.003
Hz ppm Int.1125.91 3.753 1000 600.89 2.003 1000
in CDCl3
liquid film
