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Back ChemicalBook Home>CAS DataBase List>764-42-1More Spectrum> Fumaronitrile(764-42-1) IR1

764-42-1

Fumaronitrile(764-42-1) IR1

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

  • Fumaronitrile(764-42-1) IR1
    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

  • Fumaronitrile(764-42-1) IR1

    1H NMR 300 MHz
    C4 H2 N2 0.036 g : 0.5 ml CDCl3
    fumaronitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.295

         Hz     ppm     Int.
    

       1888.50   6.295   1000
    

in CDCl3

  • Fumaronitrile(764-42-1) IR1

KBr disc

  • Fumaronitrile(764-42-1) IR1

nujol mull

  • Fumaronitrile(764-42-1) IR1

4880 A,200 M,powder

  • Fumaronitrile(764-42-1) IR1

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