Fumaronitrile(764-42-1) 13C NMR
Product NameFumaronitrile
CAS764-42-1
Molecular FormulaC4H2N2
Molecular Weight78.07
InChIInChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
InChIKey KYPOHTVBFVELTG-OWOJBTEDSA-N
SmilesC(#N)/C=C/C#N
-
MassMS-NW-4972 fumaronitrile C4H2N2 (Mass of molecular ion: 78)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.9 24.0 1.6 25.0 3.0 26.0 9.3 27.0 1.8 28.0 2.5 36.0 1.8 37.0 3.0 38.0 5.9 39.0 2.9 50.0 5.6 51.0 52.0 52.0 17.1 76.0 5.6 77.0 31.4 78.0 100.0 79.0 5.2
parameter in CDCl3
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1H NMR 300 MHz C4 H2 N2 0.036 g : 0.5 ml CDCl3 fumaronitrile 
Parameter ppm Hz
D(A) 6.295
Hz ppm Int.1888.50 6.295 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
