3-Methoxypropionitrile(110-67-8) IR1
Product Name3-Methoxypropionitrile
CAS110-67-8
Molecular FormulaC4H7NO
Molecular Weight85.1
InChIInChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3
InChIKey OOWFYDWAMOKVSF-UHFFFAOYSA-N
SmilesC(#N)CCOC
-
MassMS-NW-4345 3-methoxypropionitrile C4H7NO (Mass of molecular ion: 85)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 10.5 26.0 2.5 27.0 4.5 28.0 6.4 29.0 13.8 31.0 3.9 39.0 1.1 40.0 2.4 41.0 1.8 45.0 100.0 46.0 2.2 51.0 1.5 52.0 2.8 54.0 8.3 55.0 2.3 56.0 2.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C4 H7 N O 0.04 ml : 0.5 ml CDCl3 3-methoxypropionitrile 
Assign. Shift(ppm)
A 3.604 B 3.407 C 2.605
Hz ppm Int.329.94 3.685 77 329.50 3.680 72 323.19 3.609 188 317.25 3.543 111 305.13 3.407 1000 239.25 2.672 108 238.94 2.668 104 233.00 2.602 210 226.69 2.532 79 226.31 2.527 76
in CDCl3
liquid film
4880 A,200 M,liquid
