Acetonitrile (75-05-8) IR1
Product NameAcetonitrile
CAS75-05-8
Molecular FormulaC2H3N
Molecular Weight41.05
InChIInChI=1S/C2H3N/c1-2-3/h1H3
InChIKey WEVYAHXRMPXWCK-UHFFFAOYSA-N
SmilesC(#N)C
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MassMS-NW-4393 acetonitrile C2H3N (Mass of molecular ion: 41)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.5 13.0 1.0 14.0 5.5 15.0 1.1 25.0 1.3 26.0 1.6 27.0 1.0 28.0 2.2 38.0 9.3 39.0 17.7 40.0 50.4 41.0 100.0 42.0 2.7
parameter in CDCl3
in CD3CN
in DMSO-d6
in CDCl3
in CD3OD
-
1H NMR 300 MHz C2 H3 N 0.04 ml : 0.5 ml CDCl3 acetonitrile 
Parameter ppm Hz
D(A) 2.006
Hz ppm Int.601.80 2.006 1000
-
-
-
-
in DMSO-d6
in CD3OD
in CD3CN
in CDCl3
liquid film
4880 A,150M,liquid
UV PHOTOLYSIS IN H2O AND H2O2, 29C
