Iodoacetonitrile(624-75-9) IR1
Product NameIodoacetonitrile
CAS624-75-9
Molecular FormulaC2H2IN
Molecular Weight166.95
InChIInChI=1S/C2H2IN/c3-1-2-4/h1H2
InChIKey VODKOOOHHCAWFR-UHFFFAOYSA-N
SmilesC(#N)CI
-
MassMS-IW-8608 iodoacetonitrile C2H2IN (Mass of molecular ion: 167)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
13.0 1.0 28.0 1.2 38.0 3.0 39.0 2.8 40.0 46.8 41.0 3.3 43.0 1.6 127.0 43.0 128.0 4.5 139.0 5.8 140.0 1.5 141.0 1.2 166.0 3.5 167.0 100.0 168.0 3.3
parameter in CDCl3
-
1H NMR 300 MHz C2 H2 I N 0.05 ml : 0.5 ml CDCl3 iodoacetonitrile 
Parameter ppm Hz
D(A) 3.553 J(H,C-13)=160 HZ.
Hz ppm Int.1065.90 3.553 1000
in CDCl3
liquid film
