n-Butyl cyanoacetate(5459-58-5) 13C NMR
Product Namen-Butyl cyanoacetate
CAS5459-58-5
Molecular FormulaC7H11NO2
Molecular Weight141.17
InChIInChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3
InChIKey DJACTCNGCHPGOI-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)CC#N
-
MassMS-NW-0934 butyl cyanoacetate C7H11NO2 (Mass of molecular ion: 141)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.7 18.0 2.7 26.0 2.0 27.0 17.1 28.0 9.5 29.0 26.9 31.0 5.7 38.0 1.4 39.0 11.1 40.0 15.6 41.0 64.0 42.0 5.3 43.0 16.5 44.0 4.1 45.0 1.9 53.0 1.0 54.0 1.8 55.0 13.2 56.0 100.0 57.0 25.9 58.0 1.1 59.0 1.3 60.0 1.0 67.0 2.1 68.0 61.3 69.0 2.5 71.0 2.7 73.0 1.0 82.0 3.0 86.0 10.3 99.0 1.4 112.0 4.0
in CDCl3
CCl4 solution
liquid film
