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

Mass
MS-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

| 1H NMR | 300 MHz |
| C4 H2 N2 | 0.036 g : 0.5 ml CDCl3 |
| fumaronitrile | |
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Parameter ppm Hz |
Hz ppm Int.
1888.50 6.295 1000
in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

Fumaronitrile(764-42-1) 1H NMR Atlas of Related Products
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